2-[6-methyl-3-(3-methylsulfanylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-(3-methylsulfanylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-3-(3-methylsulfanylphenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-3-[3-(methylthio)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-3-(3-methylsulfanylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-3-[3-(methylthio)phenyl]-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC(=CC=C2)SC)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC(=CC=C2)SC)CC(=O)O

InChI

InChI=1S/C14H14N2O3S2/c1-8-11(7-12(17)18)13(19)16(14(20)15-8)9-4-3-5-10(6-9)21-2/h3-6H,7H2,1-2H3,(H,15,20)(H,17,18)