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

Systemtic Name: 2-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]thio]acetate IUPAC Name: 2-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetate Formula: C20H17N2O2S- MolecularWeight: 349.42618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])CC3=CC=CC=C3

InChI

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