MST
概要
| 表記: | 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE |
| 組成式: | C10 H19 N5 S |
| 電荷: | 0 |
| 化学式量: | 241.356 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-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 |
| SMILES | ACDLabs | 10.04 | S(c1nc(nc(n1)NC(C)(C)C)NCC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCNc1nc(NC(C)(C)C)nc(SC)n1 |
| SMILES | CACTVS | 3.341 | CCNc1nc(NC(C)(C)C)nc(SC)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNc1nc(nc(n1)SC)NC(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCNc1nc(nc(n1)SC)NC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | IROINLKCQGIITA-UHFFFAOYSA-N |
