3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H14N2O3S/c1-8-9(2)15-14(16-12(8)17)20-7-10-4-3-5-11(6-10)13(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)