2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-phenethyl-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-phenethyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-phenethyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-phenethylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)CCC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O2S/c1-29-13-11-21(16-24(29)31)15-22-17-30(14-12-19-5-3-2-4-6-19)26(28-25(22)32)33-18-20-7-9-23(27)10-8-20/h2-11,13,16-17H,12,14-15,18H2,1H3