M9K
Summary
| Name: | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid |
| Formula: | C11 H9 Cl N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 300.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16) |
| InChIKey | InChI | 1.03 | LJYRIWUQISYYHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3 |
