F1T
概要
| 表記: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine |
| 組成式: | C14 H11 F3 N4 O |
| 電荷: | 0 |
| 化学式量: | 308.259 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C14H11F3N4O/c1-7-11-12(18-8(2)19-13(11)22-21-7)20-10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | DICIXXZXANPVKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1 |
| SMILES | CACTVS | 3.385 | Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F |
