6QK
Summary
| Name: | 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid |
| Formula: | C13 H11 Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 326.755 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | QEGVVEOAVNHRAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)nc(Sc2cccc(Cl)c2C(O)=O)n1 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)nc(Sc2cccc(Cl)c2C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC |
