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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

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