7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C85H72N18O7S5 — CID 159053839

IUPAC7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]1
InChIInChI=1S/C21H20N4O2S.C17H12N4OS.C16H10N4O2S.C16H15N3OS.C15H15N3OS/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;21-12-6-3-5-10(18-12)9-8-23-14-13(9)19-15(20-16(14)22)11-4-1-2-7-17-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12;1-9(2)7-10-8-20-13-12(10)17-14(18-15(13)19)11-5-3-4-6-16-11/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);2-9H,1H3,(H,20,21,22);1-8H,(H,18,21)(H,19,20,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20);3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyJXPOJMXUBPIDMQ-UHFFFAOYSA-N
MW1617.96 g/mol
LogP16.42
Rot. Bonds15

About 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159053839) has the molecular formula C85H72N18O7S5 and a molecular weight of 1617.96 g/mol. Its IUPAC name is 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID159053839
Molecular FormulaC85H72N18O7S5
Molecular Weight1617.96 g/mol
Exact Mass1616.44
IUPAC Name7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Cc1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]1
InChIInChI=1S/C21H20N4O2S.C17H12N4OS.C16H10N4O2S.C16H15N3OS.C15H15N3OS/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;21-12-6-3-5-10(18-12)9-8-23-14-13(9)19-15(20-16(14)22)11-4-1-2-7-17-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12;1-9(2)7-10-8-20-13-12(10)17-14(18-15(13)19)11-5-3-4-6-16-11/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);2-9H,1H3,(H,20,21,22);1-8H,(H,18,21)(H,19,20,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20);3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyJXPOJMXUBPIDMQ-UHFFFAOYSA-N
XLogP16.42
TPSA351.42 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001617.96
LogP ≤ 516.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429457
7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429783
7-(furan-3-yl)-3-[[4-hydroxy-1-[(3R,4R)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]thieno[3,4-d]pyrimidin-4-one
CID 138608234
7-[3-[2-(methylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506381
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157162847
N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;methane;7-(7-methoxy-8-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157246692
8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 157403681
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157436245
N,5-dimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;5-ethyl-6-methyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-(furan-2-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-methyl-6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;5-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 157754953
7-(2-benzylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,4-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-hydroxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(oxolan-3-yloxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-phenylpyrrolidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157814472
7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)benzonitrile
CID 157884027
7-methyl-6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-6-carboxamide;6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 158325498

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159053839) is 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)Cc1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]1.
What is the InChIKey of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JXPOJMXUBPIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S.C17H12N4OS.C16H10N4O2S.C16H15N3OS.C15H15N3OS/c1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;21-12-6-3-5-10(18-12)9-8-23-14-13(9)19-15(20-16(14)22)11-4-1-2-7-17-11;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12;1-9(2)7-10-8-20-13-12(10)17-14(18-15(13)19)11-5-3-4-6-16-11/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);2-9H,1H3,(H,20,21,22);1-8H,(H,18,21)(H,19,20,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20);3-6,8-9H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1617.96 g/mol, XLogP of 16.42, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-oxo-1H-pyridin-2-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159053839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).