4E8
概要
| 表記: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
| 別名: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine |
| 組成式: | C18 H20 F N5 |
| 電荷: | 0 |
| 化学式量: | 325.383 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 | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
| OpenEye OEToolkits | 1.7.6 | 3-(3-fluorophenyl)-N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]propan-1-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 | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 |
| InChIKey | InChI | 1.03 | GTABKUMYLUXCIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1 |
| SMILES | CACTVS | 3.385 | Fc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3 |
