4-methylsulfanyl-6-oxidanylidene-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-methylsulfanyl-6-oxidanylidene-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-methylsulfanyl-6-oxo-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboxylic acid CAS Name: 4-(methylthio)-6-oxo-2-phenyl-1-(4-sulfamoylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methylsulfanyl-6-oxo-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 6-keto-4-(methylthio)-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboxylic acid Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C18H15N3O5S2/c1-27-16-14(18(23)24)17(22)21(15(20-16)11-5-3-2-4-6-11)12-7-9-13(10-8-12)28(19,25)26/h2-10H,1H3,(H,23,24)(H2,19,25,26)