QM2
Summary
| Name: | 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| Formula: | C17 H14 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 342.435 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2S2/c20-15(21)8-22-17-16-13(18-9-19-17)7-14(23-16)12-5-3-11(4-6-12)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,20,21) |
| InChIKey | InChI | 1.03 | RUYKWEJPYZQKSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1ncnc2cc(sc12)c3ccc(cc3)C4CC4 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1ncnc2cc(sc12)c3ccc(cc3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4 |
