UTQ
概要
| 表記: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione |
| 別名: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione |
| 組成式: | C13 H10 Cl F3 N2 O4 |
| 電荷: | 0 |
| 化学式量: | 350.678 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21) |
| InChIKey | InChI | 1.03 | GGXGVBQCYFQKID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl)OC |
