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

Systemtic Name: 2-(6-methyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(6-methyl-4-oxo-3-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-(6-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid IUPAC Name: 2-(6-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-(4-keto-6-methyl-3-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-8-10(7-11(16)17)12(18)15(13(19)14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,19)(H,16,17)