1-(4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone Openeye Name: 1-(4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidin-5-yl)ethanone CAS Name: 1-[4-methyl-6-(phenethylthio)-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-(4-methyl-6-phenethylsulfanyl-2-phenylpyrimidin-5-yl)ethanone Traditional Name: 1-[4-methyl-6-(phenethylthio)-2-phenyl-pyrimidin-5-yl]ethanone Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20N2OS/c1-15-19(16(2)24)21(25-14-13-17-9-5-3-6-10-17)23-20(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3