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

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3,5-dimethylphenyl)-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=C(NC2=S)C)CC(=O)O)C

InChI

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