6-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(4-bromobenzyl)-2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)-1H-pyrimidin-4-one Formula: C23H18BrFN4OS MolecularWeight: 497.382623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)Br

InChI

InChI=1S/C23H18BrFN4OS/c24-18-5-1-15(2-6-18)10-21-20(9-17-11-26-14-27-12-17)22(30)29-23(28-21)31-13-16-3-7-19(25)8-4-16/h1-8,11-12,14H,9-10,13H2,(H,28,29,30)