OBW
Summary
| Name: | 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| Formula: | C16 H10 N2 O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 358.458 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H10N2O2S3/c19-14(20)7-21-16-15-10(17-8-18-16)6-13(23-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20) |
| InChIKey | InChI | 1.03 | BNYXRPMABDQJJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O |
