V30
概要
| 表記: | 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide |
| 組成式: | C12 H15 N3 O3 S2 |
| 電荷: | 0 |
| 化学式量: | 313.396 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 | 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide |
| OpenEye OEToolkits | 1.7.0 | 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)ethanamide |
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 | O=C1c2c(c(sc2N=C(SCC(=O)NCCO)N1)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1sc2N=C(NC(=O)c2c1C)SCC(=O)NCCO |
| SMILES | CACTVS | 3.370 | Cc1sc2N=C(NC(=O)c2c1C)SCC(=O)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O3S2/c1-6-7(2)20-11-9(6)10(18)14-12(15-11)19-5-8(17)13-3-4-16/h16H,3-5H2,1-2H3,(H,13,17)(H,14,15,18) |
| InChIKey | InChI | 1.03 | ICCYYTXQEBNXNT-UHFFFAOYSA-N |
