5M9
概要
| 表記: | 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine |
| 組成式: | C17 H22 Cl N7 |
| 電荷: | 0 |
| 化学式量: | 359.856 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 | 2.0.4 | 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine |
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/C17H22ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h10H,4-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | NCSCZUVPQAFJGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4 |
| SMILES | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl |
