KKP
概要
| 表記: | 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 組成式: | C14 H12 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 268.271 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 | 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methyl-7-oxidanyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | c3c(c2cc(O)n1c(c(cn1)C(NC)=O)n2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20) |
| InChIKey | InChI | 1.03 | RUSORFYZKCLNDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnn2c(O)cc(nc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cnn2c(O)cc(nc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3 |
