0N9
Summary
| Name: | 5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
| Formula: | C9 H8 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(1-methylimidazol-4-yl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1N=C(NC(=O)C=1O)c2ncn(c2)C |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O |
| SMILES | CACTVS | 3.370 | Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O |
