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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)Br

InChI

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