2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxidanylidene-1H-pyrimidin-5-yl)-2-phenyl-ethyl]-6-undecyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxidanylidene-1H-pyrimidin-5-yl)-2-phenyl-ethyl]-6-undecyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxo-1H-pyrimidin-5-yl)-2-phenyl-ethyl]-6-undecyl-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[1-(2-oxo-1H-pyrimidin-5-yl)-2-phenylethyl]-6-undecyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxo-1H-pyrimidin-5-yl)-2-phenylethyl]-6-undecyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[1-(2-keto-1H-pyrimidin-5-yl)-2-phenyl-ethyl]-6-undecyl-1H-pyrimidin-4-one Formula: C34H41FN4O2S MolecularWeight: 588.778343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)C(CC3=CC=CC=C3)C4=CNC(=O)N=C4

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)C(CC3=CC=CC=C3)C4=CNC(=O)N=C4

InChI

InChI=1S/C34H41FN4O2S/c1-2-3-4-5-6-7-8-9-13-16-30-31(32(40)39-34(38-30)42-24-26-17-19-28(35)20-18-26)29(21-25-14-11-10-12-15-25)27-22-36-33(41)37-23-27/h10-12,14-15,17-20,22-23,29H,2-9,13,16,21,24H2,1H3,(H,36,37,41)(H,38,39,40)