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

Systemtic Name: 1-[4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[(4-bromophenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-[(4-bromobenzyl)thio]-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2OS/c1-13-18(14(2)24)20(25-12-15-8-10-17(21)11-9-15)23-19(22-13)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3