68C
概要
| 表記: | 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| 組成式: | C10 H7 N5 O2 S2 |
| 電荷: | 0 |
| 化学式量: | 293.325 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-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| OpenEye OEToolkits | 2.0.4 | 5-methyl-4-oxidanylidene-~{N}-(1,3,4-thiadiazol-2-yl)-3~{H}-thieno[2,3-d]pyrimidine-6-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 | c31N=CNC(c1c(C)c(C(=O)Nc2scnn2)s3)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17) |
| InChIKey | InChI | 1.03 | CDWYKQOLMLZLKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3scnn3 |
| SMILES | CACTVS | 3.385 | Cc1c(sc2N=CNC(=O)c12)C(=O)Nc3scnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O |
