4-methyl-1-(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-sulfonic acid

Systemtic Name: 4-methyl-1-(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-sulfonic acid Openeye Name: 4-methyl-6-oxo-1-(p-tolyl)pyrimidine-5-sulfonic acid CAS Name: 4-methyl-1-(4-methylphenyl)-6-oxo-5-pyrimidinesulfonic acid IUPAC Name: 4-methyl-1-(4-methylphenyl)-6-oxopyrimidine-5-sulfonic acid Traditional Name: 6-keto-4-methyl-1-(p-tolyl)pyrimidine-5-sulfonic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-8-3-5-10(6-4-8)14-7-13-9(2)11(12(14)15)19(16,17)18/h3-7H,1-2H3,(H,16,17,18)