1-[4-methyl-2-phenyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-methyl-2-phenyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-(4-benzylsulfanyl-6-methyl-2-phenyl-pyrimidin-5-yl)ethanone CAS Name: 1-[4-methyl-2-phenyl-6-(phenylmethylthio)-5-pyrimidinyl]ethanone IUPAC Name: 1-(4-benzylsulfanyl-6-methyl-2-phenylpyrimidin-5-yl)ethanone Traditional Name: 1-[4-(benzylthio)-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C20H18N2OS/c1-14-18(15(2)23)20(24-13-16-9-5-3-6-10-16)22-19(21-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3