6CP
概要
| 表記: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE |
| 組成式: | C18 H20 Cl N5 O |
| 電荷: | 0 |
| 化学式量: | 357.837 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine |
| OpenEye OEToolkits | 1.5.0 | N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-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 | 10.04 | Clc1cccc(c1)Nc3nc(OCC2CCCCC2)c4c(n3)ncn4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1 |
| SMILES | CACTVS | 3.341 | Clc1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24) |
| InChIKey | InChI | 1.03 | OUEGMEMDEAOAEG-UHFFFAOYSA-N |
