KIY
概要
| 表記: | 7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline |
| 組成式: | C17 H21 N3 O |
| 電荷: | 0 |
| 化学式量: | 283.368 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 | 7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline |
| OpenEye OEToolkits | 2.0.7 | 7-(cyclopropylmethoxy)-2-methyl-4-pyrrolidin-1-yl-quinazoline |
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 | Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3 |
| InChIKey | InChI | 1.03 | SDNSIQOGTASSGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2cc(OCC3CC3)ccc2c(n1)N4CCCC4 |
| SMILES | CACTVS | 3.385 | Cc1nc2cc(OCC3CC3)ccc2c(n1)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(ccc2c(n1)N3CCCC3)OCC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(ccc2c(n1)N3CCCC3)OCC4CC4 |
