KI3
概要
| 表記: | 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol |
| 組成式: | C15 H12 N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 284.333 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 | (3-amino-6-hydroxy-4-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone |
| OpenEye OEToolkits | 2.0.4 | (3-azanyl-4-methyl-6-oxidanyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methanone |
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 | Oc1nc2c(c(c1)C)c(c(s2)C(c3ccccc3)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O2S/c1-8-7-10(18)17-15-11(8)12(16)14(20-15)13(19)9-5-3-2-4-6-9/h2-7H,16H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | PNCPOBGZUHFDDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)nc2sc(c(N)c12)C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1cc(O)nc2sc(c(N)c12)C(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O |
