4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H16N2O3S/c1-3-12-9(2)16-15(17-13(12)18)21-8-10-4-6-11(7-5-10)14(19)20/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)