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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetic acid CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetic acid Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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