2-[4-oxidanidyl-6-phenyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-oxidanidyl-6-phenyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-(5-benzyl-4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxido-6-phenyl-5-(phenylmethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-(5-benzyl-4-oxido-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-benzyl-4-oxido-6-phenyl-pyrimidin-2-yl)thio]acetate Formula: C19H14N2O3S-2 MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3S/c22-16(23)12-25-19-20-17(14-9-5-2-6-10-14)15(18(24)21-19)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,23)(H,20,21,24)/p-2