7EY
Summary
| Name: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid |
| Formula: | C16 H14 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 330.425 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | RAOULLCLLOGTDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O |
