2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)O

InChI

InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)