2UG
概要
| 表記: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine |
| 組成式: | C17 H17 N7 |
| 電荷: | 0 |
| 化学式量: | 319.364 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'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine |
| OpenEye OEToolkits | 1.9.2 | 4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-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 | n1c(ccnc1Nc2ccncc2)c3cnc(nc3CC4CC4)N |
| InChI | InChI | 1.03 | InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24) |
| InChIKey | InChI | 1.03 | XXSDLQLNIVFIJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3 |
| SMILES | CACTVS | 3.385 | Nc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N |
