IWM
概要
| 表記: | 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine |
| 組成式: | C14 H12 Cl F2 N5 |
| 電荷: | 0 |
| 化学式量: | 323.728 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 | 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-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 | 1.06 | InChI=1S/C14H12ClF2N5/c1-18-12-10-13(21-14(15)20-12)22(7-19-10)6-8-4-2-3-5-9(8)11(16)17/h2-5,7,11H,6H2,1H3,(H,18,20,21) |
| InChIKey | InChI | 1.06 | UPDPTTNKFIABQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3C(F)F |
