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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-phenyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-phenyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H17FN4OS MolecularWeight: 404.459983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H17FN4OS/c23-19-8-6-16(7-9-19)14-29-22-26-21(28)18(10-17-11-24-15-25-12-17)13-27(22)20-4-2-1-3-5-20/h1-9,11-13,15H,10,14H2