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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]acetate IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O2S/c1-9-14-11(10-5-3-2-4-6-10)7-12(15-9)18-8-13(16)17/h2-7H,8H2,1H3,(H,16,17)/p-1