4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-8-6-11(16)15-13(14-8)19-7-9-2-4-10(5-3-9)12(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)