3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CC(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CC(=O)N2)C(=O)O

InChI

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