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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Pyridines and derivatives (484)
Pyrimidines And Derivatives (33)
Imidazopyrimidines (30)
Heteroaromatic compounds (18)
Quinolines and derivatives (11)
Indoles and derivatives (10)
Biotin and derivatives (7)
Azoles (6)
Tetrapyrroles and derivatives (5)
Benzodiazepines (4)
Furans (4)
Lactims (4)
Dioxaborolanes (3)
Dithiolanes (3)
Furofurans (3)
Isoquinolines and derivatives (3)
Lactams (3)
Piperazines (3)
Benzofurans (2)
Phenanthrolines (2)
Azolines (1)
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Pyrrolidines (1)

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Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1H-pyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
2
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Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
3
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2-Amino-4,6-dihydroxypyrimidine, 98%

CAS: 56-09-7 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006094 InChI Key: AUFJTVGCSJNQIF-UHFFFAOYSA-N Synonym: 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone PubChem CID: 66131 IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one SMILES: NC1=NC(O)=CC(=O)N1

PubChem CID 66131
CAS 56-09-7
Molecular Weight (g/mol) 127.10
MDL Number MFCD00006094
SMILES NC1=NC(O)=CC(=O)N1
Synonym 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone
IUPAC Name 2-amino-4-hydroxy-1H-pyrimidin-6-one
InChI Key AUFJTVGCSJNQIF-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
4

D-Biotin, MP Biomedicals

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
5

6-Thioguanine, 98%

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2

PubChem CID 2723601
CAS 154-42-7
Molecular Weight (g/mol) 167.19
ChEBI CHEBI:9555
MDL Number MFCD00233553
SMILES NC1=NC(=S)C2=C(N1)N=CN2
Synonym 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula C5H5N5S
6
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Nicotinic acid, 99.5%

CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1

PubChem CID 938
CAS 59-67-6
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:15940
MDL Number MFCD00006391
SMILES OC(=O)C1=CC=CN=C1
Synonym nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil
IUPAC Name pyridine-3-carboxylic acid
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula C6H5NO2
7
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Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1H-pyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
8

Theophylline, Thermo Scientific Chemicals

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

PubChem CID 2153
CAS 58-55-9
Molecular Weight (g/mol) 180.167
ChEBI CHEBI:28177
MDL Number MFCD00079619
SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name 1,3-dimethyl-7H-purine-2,6-dione
InChI Key ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
9
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2-Hydroxy-6-aminopurine, 98%

CAS: 3373-53-3 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00142931 InChI Key: DRAVOWXCEBXPTN-UHFFFAOYSA-N Synonym: isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol PubChem CID: 76900 ChEBI: CHEBI:62462 IUPAC Name: 6-amino-1,7-dihydropurin-2-one SMILES: NC1=C2NC=NC2=NC(=O)N1

PubChem CID 76900
CAS 3373-53-3
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:62462
MDL Number MFCD00142931
SMILES NC1=C2NC=NC2=NC(=O)N1
Synonym isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol
IUPAC Name 6-amino-1,7-dihydropurin-2-one
InChI Key DRAVOWXCEBXPTN-UHFFFAOYSA-N
Molecular Formula C5H5N5O
10
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Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
11
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Pyridine-2,3-dicarboxylic acid, 99%

CAS: 89-00-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006295 InChI Key: GJAWHXHKYYXBSV-UHFFFAOYSA-N Synonym: quinolinic acid,2,3-pyridinedicarboxylic acid,quinolinate,pyridine-2,3-dicarboxylate,unii-f6f0hk1urn,2,3-pyridinedicarboxylicacid,pyridine-2,3-carboxylate,f6f0hk1urn,pyridin-2,3-dicarbonsaeure,2,3-pyridinedicarboxylate PubChem CID: 1066 ChEBI: CHEBI:16675 IUPAC Name: pyridine-2,3-dicarboxylic acid SMILES: C1=CC(=C(N=C1)C(=O)O)C(=O)O

PubChem CID 1066
CAS 89-00-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:16675
MDL Number MFCD00006295
SMILES C1=CC(=C(N=C1)C(=O)O)C(=O)O
Synonym quinolinic acid,2,3-pyridinedicarboxylic acid,quinolinate,pyridine-2,3-dicarboxylate,unii-f6f0hk1urn,2,3-pyridinedicarboxylicacid,pyridine-2,3-carboxylate,f6f0hk1urn,pyridin-2,3-dicarbonsaeure,2,3-pyridinedicarboxylate
IUPAC Name pyridine-2,3-dicarboxylic acid
InChI Key GJAWHXHKYYXBSV-UHFFFAOYSA-N
Molecular Formula C7H5NO4
12
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2-Hydroxy-5-nitropyridine, 98+%

CAS: 5418-51-9 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.098 MDL Number: MFCD00006276 InChI Key: XKWSQIMYNVLGBO-UHFFFAOYSA-N Synonym: 2-hydroxy-5-nitropyridine,5-nitropyridin-2-ol,5-nitro-2-pyridinol,2 1h-pyridinone, 5-nitro,5-nitropyridin-2 1h-one,5-nitro-2-hydroxypyridine,5-nitro-2-pyridone,5-nitro-1,2-dihydropyridin-2-one,5-nitro-2-pyridol,pubchem1205 PubChem CID: 79453 IUPAC Name: 5-nitro-1H-pyridin-2-one SMILES: C1=CC(=O)NC=C1[N+](=O)[O-]

PubChem CID 79453
CAS 5418-51-9
Molecular Weight (g/mol) 140.098
MDL Number MFCD00006276
SMILES C1=CC(=O)NC=C1[N+](=O)[O-]
Synonym 2-hydroxy-5-nitropyridine,5-nitropyridin-2-ol,5-nitro-2-pyridinol,2 1h-pyridinone, 5-nitro,5-nitropyridin-2 1h-one,5-nitro-2-hydroxypyridine,5-nitro-2-pyridone,5-nitro-1,2-dihydropyridin-2-one,5-nitro-2-pyridol,pubchem1205
IUPAC Name 5-nitro-1H-pyridin-2-one
InChI Key XKWSQIMYNVLGBO-UHFFFAOYSA-N
Molecular Formula C5H4N2O3
13

D-Biotin, MP Biomedicals™

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
14
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Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
15
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Pyrrole, 99%, extra pure

CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1

PubChem CID 8027
CAS 109-97-7
Molecular Weight (g/mol) 67.09
ChEBI CHEBI:19203
MDL Number MFCD00005216
SMILES N1C=CC=C1
Synonym pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c
IUPAC Name 1H-pyrrole
InChI Key KAESVJOAVNADME-UHFFFAOYSA-N
Molecular Formula C4H5N