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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC(=O)N2

InChI

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