HXE
概要
| 表記: | 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
| 組成式: | C18 H26 N6 S |
| 電荷: | 0 |
| 化学式量: | 358.504 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 | 2.0.6 | 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
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/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | MLPWBUBDJOKZOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES | CACTVS | 3.385 | CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N |
