O53
Summary
| Name: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one |
| Formula: | C16 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 267.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O/c1-10(2)11-5-7-12(8-6-11)14-18-15-13(16(20)19-14)4-3-9-17-15/h3-10,14H,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | UWKUUJNROWNYPA-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(cc1)[C@@H]2NC(=O)c3cccnc3N2 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2 |
