2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-1-phenethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-1-phenethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C24H20F2N4OS MolecularWeight: 450.503606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=C(C=C3)F)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=C(C=C3)F)F)CC4=CN=CN=C4

InChI

InChI=1S/C24H20F2N4OS/c25-21-7-6-18(11-22(21)26)15-32-24-29-23(31)20(10-19-12-27-16-28-13-19)14-30(24)9-8-17-4-2-1-3-5-17/h1-7,11-14,16H,8-10,15H2