H5I
概要
| 表記: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one |
| 組成式: | C17 H18 F3 N7 O3 |
| 電荷: | 0 |
| 化学式量: | 425.365 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 | 2.0.7 | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one |
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 | 1.06 | InChI=1S/C17H18F3N7O3/c1-9-8-30-16(28)27(9)12-6-11(23-15(24-12)26-2-4-29-5-3-26)10-7-22-14(21)25-13(10)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H2,21,22,25)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FBOZVYXXWXOUOV-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N |
