NNN
概要
| 表記: | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol |
| 組成式: | C19 H26 N6 O |
| 電荷: | 0 |
| 化学式量: | 354.449 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 | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[4-(phenylmethylamino)-8-propan-2-yl-pyrazolo[1,5-e][1,3,5]triazin-2-yl]amino]butan-1-ol |
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 | n2c1c(cnn1c(nc2NC(CC)CO)NCc3ccccc3)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c3n1 |
| SMILES | CACTVS | 3.341 | CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | SQUNOCMDMIQIQK-OAHLLOKOSA-N |
