8MW
Summary
| Name: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid |
| Formula: | C12 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 248.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | SQXQFDZJONADBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3 |
| SMILES | CACTVS | 3.385 | Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C |
