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

Systemtic Name: 6-methyl-4-(2-methylsulfanylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-4-(2-methylsulfanylphenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-4-[2-(methylthio)phenyl]-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-4-(2-methylsulfanylphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-[2-(methylthio)phenyl]-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C14H14N2O4S2/c1-7-10(12(17)18)11(16(14(19)20)13(21)15-7)8-5-3-4-6-9(8)22-2/h3-6,11H,1-2H3,(H,15,21)(H,17,18)(H,19,20)