WZH
Summary
| Name: | 2-[5-cyano-4-(4-methylphenyl)-6-oxidanyl-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide |
| Synonyms: | 2-((5-cyano-4-hydroxy-6-(p-tolyl)pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide |
| Formula: | C20 H17 N5 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 455.51 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[5-cyano-4-(4-methylphenyl)-6-oxidanyl-pyrimidin-2-yl]sulfanyl-~{N}-(4-sulfamoylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17N5O4S2/c1-12-2-4-13(5-3-12)18-16(10-21)19(27)25-20(24-18)30-11-17(26)23-14-6-8-15(9-7-14)31(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27) |
| InChIKey | InChI | 1.06 | AIBZOXIWLFUJES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2nc(SCC(=O)Nc3ccc(cc3)[S](N)(=O)=O)nc(O)c2C#N |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2nc(SCC(=O)Nc3ccc(cc3)[S](N)(=O)=O)nc(O)c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2c(c(nc(n2)SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2c(c(nc(n2)SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)O)C#N |
