2-[4,6-dimethyl-1-(4-methylsulfanylphenyl)-2-oxidanylidene-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4,6-dimethyl-1-(4-methylsulfanylphenyl)-2-oxidanylidene-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4,6-dimethyl-1-(4-methylsulfanylphenyl)-2-oxo-pyrimidin-5-yl]acetic acid CAS Name: 2-[4,6-dimethyl-1-[4-(methylthio)phenyl]-2-oxo-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4,6-dimethyl-1-(4-methylsulfanylphenyl)-2-oxopyrimidin-5-yl]acetic acid Traditional Name: 2-[2-keto-4,6-dimethyl-1-[4-(methylthio)phenyl]pyrimidin-5-yl]acetic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2=CC=C(C=C2)SC)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2=CC=C(C=C2)SC)C)CC(=O)O

InChI

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