O54
概要
| 表記: | 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea |
| 組成式: | C19 H20 N4 O |
| 電荷: | 0 |
| 化学式量: | 320.388 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 | 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea |
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/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24) |
| InChIKey | InChI | 1.03 | ITGDBTWKMCUOIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1cc2c(cn1)c(C)ccc2c3ccnc(C)c3 |
| SMILES | CACTVS | 3.385 | CCNC(=O)Nc1cc2c(cn1)c(C)ccc2c3ccnc(C)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C |
