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

Systemtic Name: 3-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-9(2)12-7-13(18)17-15(16-12)21-8-10-4-3-5-11(6-10)14(19)20/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)