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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(phenylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(phenylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-benzyl-2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C23H19FN4OS MolecularWeight: 418.486563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C23H19FN4OS/c24-21-8-6-18(7-9-21)15-30-23-27-22(29)20(10-19-11-25-16-26-12-19)14-28(23)13-17-4-2-1-3-5-17/h1-9,11-12,14,16H,10,13,15H2