12R
概要
| 表記: | 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine |
| 組成式: | C11 H10 N6 |
| 電荷: | 0 |
| 化学式量: | 226.237 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-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine |
| OpenEye OEToolkits | 1.7.6 | 1-phenyl-2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)diazane |
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 | n1c3c(c(nc1)NNc2ccccc2)cnn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H10N6/c1-2-4-8(5-3-1)15-17-11-9-6-14-16-10(9)12-7-13-11/h1-7,15H,(H2,12,13,14,16,17) |
| InChIKey | InChI | 1.03 | TUVLUZBAHCXFSC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N(Nc1ncnc2[nH]ncc12)c3ccccc3 |
| SMILES | CACTVS | 3.370 | N(Nc1ncnc2[nH]ncc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NNc2c3cn[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NNc2c3cn[nH]c3ncn2 |
