JY4
概要
| 表記: | 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline |
| 組成式: | C12 H12 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 244.249 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 | 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline |
| OpenEye OEToolkits | 2.0.6 | 7,8-dimethoxy-1-methyl-2~{H}-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 | c23c1c(cc(c(c1)OC)OC)nnc2nnc3C |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16) |
| InChIKey | InChI | 1.03 | NOAZBIGPIKIKDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nnc3n[nH]c(C)c3c2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2nnc3n[nH]c(C)c3c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC |
