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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-1-phenethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-1-phenethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN4OS/c25-22-9-5-4-8-20(22)16-31-24-28-23(30)21(12-19-13-26-17-27-14-19)15-29(24)11-10-18-6-2-1-3-7-18/h1-9,13-15,17H,10-12,16H2