6-methyl-2-(3-methylsulfonylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-(3-methylsulfonylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-(3-methylsulfonylphenyl)-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-(3-methylsulfonylphenyl)-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-(3-methylsulfonylphenyl)-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-2-(3-mesylphenyl)-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-7-10(13(17)18)12(16)15-11(14-7)8-4-3-5-9(6-8)21(2,19)20/h3-6H,1-2H3,(H,17,18)(H,14,15,16)