2M2
概要
| 表記: | N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine |
| 組成式: | C20 H21 N7 O |
| 電荷: | 0 |
| 化学式量: | 375.427 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 | N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]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 | n1oc(cc1C)CNc4nc(Nc2nnc(c2)CCc3ccccc3)ccn4 |
| InChI | InChI | 1.03 | InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26) |
| InChIKey | InChI | 1.03 | ZWCOUICPAQBKJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)[nH]n3)n2)on1 |
| SMILES | CACTVS | 3.385 | Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)[nH]n3)n2)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4 |
