26G
概要
| 表記: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol |
| 組成式: | C14 H17 N3 O |
| 電荷: | 0 |
| 化学式量: | 243.304 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol |
| OpenEye OEToolkits | 1.7.6 | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]ethanol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(N)c(cnc1C)Cc2cccc(c2)CCO |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | CLAXVJRRXGSGJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(Cc2cccc(CCO)c2)c(N)n1 |
| SMILES | CACTVS | 3.385 | Cc1ncc(Cc2cccc(CCO)c2)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)Cc2cccc(c2)CCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(c(n1)N)Cc2cccc(c2)CCO |
