XZ1
概要
| 表記: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol |
| 組成式: | C15 H11 Cl F N3 O2 |
| 電荷: | 0 |
| 化学式量: | 319.718 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 | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-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 |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | JLVTVCRXFMLUIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O |
| SMILES | CACTVS | 3.385 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F |
