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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)C(CC3=CC=CC=C3)C4=CNC(=O)N=C4

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)C(CC3=CC=CC=C3)C4=CNC(=O)N=C4

InChI

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