S1Q
概要
| 表記: | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one |
| 組成式: | C19 H17 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 335.357 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 | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-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 |
| InChI | InChI | 1.03 | InChI=1S/C19H17N3O3/c1-22-18(6-3-13-7-9-20-10-8-13)21-16(19(22)24)11-14-4-5-15(23)12-17(14)25-2/h3-12,23H,1-2H3/b6-3+,16-11- |
| InChIKey | InChI | 1.03 | RULMUNSYCBDHEN-KCFSPJGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)ccc1\C=C2/N=C(/C=C/c3ccncc3)N(C)C2=O |
| SMILES | CACTVS | 3.385 | COc1cc(O)ccc1C=C2N=C(C=Cc3ccncc3)N(C)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=NC(=Cc2ccc(cc2OC)O)C1=O)C=Cc3ccncc3 |
