E11
概要
| 表記: | N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine |
| 組成式: | C27 H38 N6 O2 |
| 電荷: | 0 |
| 化学式量: | 478.63 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 | N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.7.0 | N2-[3-(dimethylamino)propyl]-6,7-dimethoxy-N4-[1-(phenylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
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 | O(c4cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)NCCCN(C)C)cc4OC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC |
| SMILES | CACTVS | 3.370 | COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccccc4)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31) |
| InChIKey | InChI | 1.03 | YYFDMPHIONBOKZ-UHFFFAOYSA-N |
