3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one Openeye Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 3-[(4-bromophenyl)methyl]-2-(phenethylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-(4-bromobenzyl)-2-(phenethylthio)-6-phenyl-pyrimidin-4-one Formula: C25H21BrN2OS MolecularWeight: 477.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=CC(=O)N2CC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2OS/c26-22-13-11-20(12-14-22)18-28-24(29)17-23(21-9-5-2-6-10-21)27-25(28)30-16-15-19-7-3-1-4-8-19/h1-14,17H,15-16,18H2