P44
概要
| 表記: | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE |
| 組成式: | C19 H21 N7 |
| 電荷: | 0 |
| 化学式量: | 347.417 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 | 2-[(cyclohexylmethyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 2-(cyclohexylmethylamino)-4-phenylazanyl-pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile |
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 | N#Cc4cnn1c4nc(nc1Nc2ccccc2)NCC3CCCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12 |
| SMILES | CACTVS | 3.341 | N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25) |
| InChIKey | InChI | 1.03 | NCVMTHVSAJMOPI-UHFFFAOYSA-N |
