6-methyl-4-(3-methylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-4-(3-methylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-4-(m-tolyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-4-(3-methylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-4-(3-methylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-(m-tolyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(NC(=S)N2C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(NC(=S)N2C(=O)O)C)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-7-4-3-5-9(6-7)11-10(12(17)18)8(2)15-13(21)16(11)14(19)20/h3-6,11H,1-2H3,(H,15,21)(H,17,18)(H,19,20)