AWA
Summary
| Name: | (6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid |
| Formula: | C12 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O4/c1-18-8-4-2-7(3-5-8)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | MTFBEIOPWWFNND-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2CC(=NC(=O)N2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C2CC(=NC(=O)N2)C(=O)O |
