FPY
概要
| 表記: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE |
| 別名: | 5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE |
| 組成式: | C4 H5 F N2 O2 |
| 電荷: | 0 |
| 化学式量: | 132.093 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 | (4S)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | (4S)-5-fluoro-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one |
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 | FC1=CNC(=O)NC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1NC(=O)NC=C1F |
| SMILES | CACTVS | 3.341 | O[CH]1NC(=O)NC=C1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C([C@@H](NC(=O)N1)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(NC(=O)N1)O)F |
| InChI | InChI | 1.03 | InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | PRVUBDAKZJCBTI-VKHMYHEASA-N |
