EHT
概要
| 表記: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole |
| 組成式: | C14 H14 N4 O |
| 電荷: | 0 |
| 化学式量: | 254.287 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 | 2.0.6 | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole |
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/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3 |
| InChIKey | InChI | 1.03 | XPQAEPLMWBAUIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c1c2ccncc2)c3c(C)onc3C |
| SMILES | CACTVS | 3.385 | Cn1cnc(c1c2ccncc2)c3c(C)onc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3 |
