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

Systemtic Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-[[2,3,5-tris(fluoranyl)phenyl]methylsulfanyl]pyrimidin-4-one Openeye Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-[(2,3,5-trifluorophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 1-phenethyl-5-(5-pyrimidinylmethyl)-2-[(2,3,5-trifluorophenyl)methylthio]-4-pyrimidinone IUPAC Name: 1-phenethyl-5-(pyrimidin-5-ylmethyl)-2-[(2,3,5-trifluorophenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 1-phenethyl-5-(5-pyrimidylmethyl)-2-[(2,3,5-trifluorobenzyl)thio]pyrimidin-4-one Formula: C24H19F3N4OS MolecularWeight: 468.49407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=CC(=C3F)F)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=CC(=C3F)F)F)CC4=CN=CN=C4

InChI

InChI=1S/C24H19F3N4OS/c25-20-9-19(22(27)21(26)10-20)14-33-24-30-23(32)18(8-17-11-28-15-29-12-17)13-31(24)7-6-16-4-2-1-3-5-16/h1-5,9-13,15H,6-8,14H2