HIK
概要
| 表記: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol |
| 組成式: | C17 H25 N5 O3 |
| 電荷: | 0 |
| 化学式量: | 347.412 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 | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 3-[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]pyridin-3-yl]propan-1-ol |
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 | CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO |
| InChI | InChI | 1.03 | InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22) |
| InChIKey | InChI | 1.03 | PWWUVSFRVAAKJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ncccc2CCCO |
| SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCOc2ncccc2CCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO |
