S4Q
概要
| 表記: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine |
| 別名: | 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-amine |
| 組成式: | C18 H19 F2 N5 O |
| 電荷: | 0 |
| 化学式量: | 359.373 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 | 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-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 |
| InChI | InChI | 1.03 | InChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24) |
| InChIKey | InChI | 1.03 | AWZRHMXFDZUHLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(OC2CCCC2)nc3n(Cc4c(F)cccc4F)cnc13 |
| SMILES | CACTVS | 3.385 | CNc1nc(OC2CCCC2)nc3n(Cc4c(F)cccc4F)cnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F |
