ZV8
概要
| 表記: | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
| 組成式: | C11 H17 N3 |
| 電荷: | 0 |
| 化学式量: | 191.273 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 | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 2-~{tert}-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
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 | CC(C)(C)c1ncc2CNCCc2n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3 |
| InChIKey | InChI | 1.06 | TXNXUFABOGCLLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ncc2CNCCc2n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ncc2CNCCc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ncc2c(n1)CCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ncc2c(n1)CCNC2 |
