R5W
概要
| 表記: | 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide |
| 別名: | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide |
| 組成式: | C15 H18 N6 O |
| 電荷: | 0 |
| 化学式量: | 298.343 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 | 2.0.7 | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide |
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/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22) |
| InChIKey | InChI | 1.03 | ORABFPNDOBHUSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3 |
| SMILES | CACTVS | 3.385 | Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C |
