ethanedioic acid; 5-methyl-1-(3-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: ethanedioic acid; 5-methyl-1-(3-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-methyl-1-(m-tolyl)-2-thioxo-pyrimidin-4-one; oxalic acid CAS Name: 6-hydroxy-5-methyl-1-(3-methylphenyl)-2-sulfanylidene-4-pyrimidinone; oxalic acid IUPAC Name: 6-hydroxy-5-methyl-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one; oxalic acid Traditional Name: 6-hydroxy-5-methyl-1-(m-tolyl)-2-thioxo-pyrimidin-4-one; oxalic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12N2O2S.C2H2O4/c1-7-4-3-5-9(6-7)14-11(16)8(2)10(15)13-12(14)17;3-1(4)2(5)6/h3-6,16H,1-2H3,(H,13,15,17);(H,3,4)(H,5,6)