2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxido-6-phenyl-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4-oxido-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-oxido-6-phenyl-pyrimidin-2-yl)thio]acetate Formula: C12H8N2O3S-2 MolecularWeight: 260.26852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[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)/p-2