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

Systemtic Name: (phenylmethyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-15-12-18(17-10-6-3-7-11-17)22-20(21-15)25-14-19(23)24-13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3