I2X
概要
| 表記: | 6-(difluoromethyl)pyrimidin-4-ol |
| 別名: | ISOTHIAZOLIDANONE ANALOGUE |
| 組成式: | C5 H4 F2 N2 O |
| 電荷: | 0 |
| 化学式量: | 146.095 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 | 6-(difluoromethyl)pyrimidin-4-ol |
| OpenEye OEToolkits | 2.0.7 | 6-[bis(fluoranyl)methyl]pyrimidin-4-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 | 12.01 | Oc1cc(ncn1)C(F)F |
| InChI | InChI | 1.06 | InChI=1S/C5H4F2N2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10) |
| InChIKey | InChI | 1.06 | CRXWFHCGXRAVCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ncn1)C(F)F |
| SMILES | CACTVS | 3.385 | Oc1cc(ncn1)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1O)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1O)C(F)F |
