OD2
Summary
| Name: | 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| Formula: | C15 H12 N2 O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 348.463 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | KJCQGDBVLKOAHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2 |
| SMILES | CACTVS | 3.385 | CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O |
