QZR
Summary
| Name: | 6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine |
| Formula: | C14 H13 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 319.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17) |
| InChIKey | InChI | 1.06 | QVQHWPLHUNEREE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(ncnc2s1)Nc3ccc(cc3)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(ncnc2s1)Nc3ccc(cc3)S(=O)(=O)C |
