JY7
概要
| 表記: | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline |
| 組成式: | C17 H14 F N5 O |
| 電荷: | 0 |
| 化学式量: | 323.324 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 | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline |
| OpenEye OEToolkits | 2.0.6 | 8-fluoranyl-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)pyrazolo[3,4-c]cinnoline |
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 | n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3 |
| InChIKey | InChI | 1.03 | BEHIYTQDLXFKJV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23 |
| SMILES | CACTVS | 3.385 | COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F |
