7IA
Summary
| Name: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid |
| Formula: | C12 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 262.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(6-oxidanylidene-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15) |
| InChIKey | InChI | 1.03 | NVFIGQYDZXKAEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O |
