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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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