F80
概要
| 表記: | N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine |
| 組成式: | C19 H25 N5 O |
| 電荷: | 0 |
| 化学式量: | 339.435 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 | ~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine |
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/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24) |
| InChIKey | InChI | 1.03 | JOHUZOVWSNNWQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 |
| SMILES | CACTVS | 3.385 | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC |
