IFP
概要
| 表記: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE |
| 別名: | 4-IMINO-5-METHIDYL-2-TRIFLUOROMETHYLPYRIMIDINE |
| 組成式: | C6 H4 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 175.111 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 | (4Z)-5-methylidene-2-(trifluoromethyl)pyrimidin-4(5H)-imine |
| OpenEye OEToolkits | 1.5.0 | 5-methylidene-2-(trifluoromethyl)pyrimidin-4-imine |
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 | FC(F)(F)C=1N=CC(=C)/C(=[N@H])N=1 |
| SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)C1=NC(=N)C(=C)C=N1 |
| SMILES | CACTVS | 3.341 | FC(F)(F)C1=NC(=N)C(=C)C=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C1C=NC(=NC1=N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=C1C=NC(=NC1=N)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2 |
| InChIKey | InChI | 1.03 | YKFRUALXTUDSBW-UHFFFAOYSA-N |
