4QE
概要
| 表記: | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine |
| 組成式: | C19 H23 N5 O |
| 電荷: | 0 |
| 化学式量: | 337.419 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 | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine |
| OpenEye OEToolkits | 1.9.2 | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine |
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 | n3c2c(nc(c1ccccc1C)n2)c(nc3N)OCC4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C19H23N5O/c1-12-7-5-6-10-14(12)16-21-15-17(22-16)23-19(20)24-18(15)25-11-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H3,20,21,22,23,24) |
| InChIKey | InChI | 1.03 | DJXADPDNJXCWOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2[nH]c3nc(N)nc(OCC4CCCCC4)c3n2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2[nH]c3nc(N)nc(OCC4CCCCC4)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4 |
