0N9

5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid

Created:	2012-03-15
Last modified:	2012-03-15

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1 entries where 0N9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	5

2D diagram of 0N9

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Chemical Component Summary
Name	5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-(1-methylimidazol-4-yl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid
Formula	C₉ H₈ N₄ O₄
Molecular Weight	236.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C=1N=C(NC(=O)C=1O)c2ncn(c2)C
SMILES	CACTVS	3.370	Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O
Canonical SMILES	CACTVS	3.370	Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H8N4O4/c1-13-2-4(10-3-13)7-11-5(9(16)17)6(14)8(15)12-7/h2-3,14H,1H3,(H,16,17)(H,11,12,15)
InChIKey	InChI	1.03	OIINGOWTGWVZNY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566706, 57519718
ChEMBL	CHEMBL2040563

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.