487
概要
| 表記: | 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine |
| 組成式: | C13 H24 N6 |
| 電荷: | 0 |
| 化学式量: | 264.37 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 | 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 6-[(1S)-1-(azepan-1-yl)ethyl]-N2,N2-dimethyl-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 | 12.01 | n1c(nc(nc1C(N2CCCCCC2)C)N(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C13H24N6/c1-10(19-8-6-4-5-7-9-19)11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | VXAHGJQOHMSESG-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1CCCCCC1)c2nc(N)nc(n2)N(C)C |
| SMILES | CACTVS | 3.385 | C[CH](N1CCCCCC1)c2nc(N)nc(n2)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1nc(nc(n1)N(C)C)N)N2CCCCCC2 |
