UKN
概要
| 表記: | (4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
| 組成式: | C12 H8 Cl F N2 O4 |
| 電荷: | 0 |
| 化学式量: | 298.654 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-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | (4-chlorophenyl)methyl 5-fluoranyl-2,4-bis(oxidanylidene)-1~{H}-pyrimidine-6-carboxylate |
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 | O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8ClFN2O4/c13-7-3-1-6(2-4-7)5-20-11(18)9-8(14)10(17)16-12(19)15-9/h1-4H,5H2,(H2,15,16,17,19) |
| InChIKey | InChI | 1.06 | QEEOXIYGELWSIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl |
