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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c16-11(17)6-10-7-14-13(19)15(12(10)18)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,14,19)(H,16,17)