Z4I
概要
| 表記: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide |
| 組成式: | C14 H13 F2 N5 O2 |
| 電荷: | 0 |
| 化学式量: | 321.282 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 | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-[2,2-bis(fluoranyl)ethanoyl]-2-[(phenylmethyl)amino]pyrimidine-5-carbohydrazide |
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 | FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19) |
| InChIKey | InChI | 1.06 | WAERNYVSQGAOPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1 |
| SMILES | CACTVS | 3.385 | FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F |
