46Y
概要
| 表記: | 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile |
| 組成式: | C15 H22 N4 O |
| 電荷: | 0 |
| 化学式量: | 274.361 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 | 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile |
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 | N#Cc1c(cc(nc1NCCCN2CCOCC2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | IFGDZGMJCVOVLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C |
