RE4
概要
| 表記: | 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine |
| 組成式: | C11 H13 N5 |
| 電荷: | 0 |
| 化学式量: | 215.254 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 | 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.6 | 6-methyl-~{N}4-(pyridin-3-ylmethyl)pyrimidine-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 | c2(nc(NCc1cccnc1)cc(n2)C)N |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16) |
| InChIKey | InChI | 1.03 | DSSCXCDTPABWJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NCc2cccnc2)nc(N)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(NCc2cccnc2)nc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)N)NCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)N)NCc2cccnc2 |
