K90
概要
| 表記: | 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine |
| 組成式: | C14 H20 N4 |
| 電荷: | 0 |
| 化学式量: | 244.335 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 | 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-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 | Cc1cc(C#CCN2CCN(C)CC2)nc(N)c1 |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16) |
| InChIKey | InChI | 1.03 | VWGJRTCMKOXFHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)CC#Cc2cc(C)cc(N)n2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)CC#Cc2cc(C)cc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C |
