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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxidanylidene-1H-pyrimidin-5-yl)ethyl]-1-undecyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxo-1H-pyrimidin-5-yl)ethyl]-1-undecyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[1-(2-oxo-1H-pyrimidin-5-yl)ethyl]-1-undecyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[1-(2-oxo-1H-pyrimidin-5-yl)ethyl]-1-undecylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[1-(2-keto-1H-pyrimidin-5-yl)ethyl]-1-undecyl-pyrimidin-4-one Formula: C28H37FN4O2S MolecularWeight: 512.682383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN4O2S/c1-3-4-5-6-7-8-9-10-11-16-33-19-25(21(2)23-17-30-27(35)31-18-23)26(34)32-28(33)36-20-22-12-14-24(29)15-13-22/h12-15,17-19,21H,3-11,16,20H2,1-2H3,(H,30,31,35)