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

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-3-(4-methylbenzyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C(=CNC2=S)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C(=CNC2=S)CC(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-9-2-4-10(5-3-9)8-16-13(19)11(6-12(17)18)7-15-14(16)20/h2-5,7H,6,8H2,1H3,(H,15,20)(H,17,18)