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

Systemtic Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfanylphenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 4-methylsulfanyl-2-(4-methylsulfanylphenyl)-6-oxo-1-(p-tolyl)pyrimidine-5-carboxylic acid CAS Name: 1-(4-methylphenyl)-4-(methylthio)-2-[4-(methylthio)phenyl]-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxylic acid Traditional Name: 6-keto-4-(methylthio)-2-[4-(methylthio)phenyl]-1-(p-tolyl)pyrimidine-5-carboxylic acid Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-12-4-8-14(9-5-12)22-17(13-6-10-15(26-2)11-7-13)21-18(27-3)16(19(22)23)20(24)25/h4-11H,1-3H3,(H,24,25)