5AV
概要
| 表記: | 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
| 組成式: | C12 H12 Cl N5 S |
| 電荷: | 0 |
| 化学式量: | 293.775 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 | 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
| OpenEye OEToolkits | 1.9.2 | 5-chloranyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
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 | c1(cc(nc2n1ncc2)Cl)NCc3c(nc(C)s3)C |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClN5S/c1-7-9(19-8(2)16-7)6-14-12-5-10(13)17-11-3-4-15-18(11)12/h3-5,14H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | FTTQXQQDHKGVJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2cc(Cl)nc3ccnn23)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2cc(Cl)nc3ccnn23)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl |
