RJI
Summary
| Name: | 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE |
| Formula: | C11 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 247.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (5S)-2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinane-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O4/c12-8(15)7-9(16)13-11(18)14(10(7)17)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16,18)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QCWWLBLYOGYJRV-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1C(=O)NC(=O)N(C1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1C(=O)NC(=O)N(C1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C(=O)N |
