1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxo-1-(p-tolyl)pyrimidine-5-carboxylic acid CAS Name: 1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-4-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxopyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-(4-mesylphenyl)-4-(methylthio)-1-(p-tolyl)pyrimidine-5-carboxylic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C(=O)O)SC)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C(=O)O)SC)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H18N2O5S2/c1-12-4-8-14(9-5-12)22-17(13-6-10-15(11-7-13)29(3,26)27)21-18(28-2)16(19(22)23)20(24)25/h4-11H,1-3H3,(H,24,25)