4Y2
概要
| 表記: | 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine |
| 組成式: | C14 H17 Cl N4 S |
| 電荷: | 0 |
| 化学式量: | 308.83 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 6-chloranyl-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-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 |
| SMILES | ACDLabs | 12.01 | c2(NCc1c(nc(C)s1)C)c(C)c(Cl)nc(n2)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H17ClN4S/c1-7-12(15)18-14(10-4-5-10)19-13(7)16-6-11-8(2)17-9(3)20-11/h10H,4-6H2,1-3H3,(H,16,18,19) |
| InChIKey | InChI | 1.03 | BKAQDKUFAULKQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2nc(nc(Cl)c2C)C3CC3)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2nc(nc(Cl)c2C)C3CC3)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C |
