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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-undecyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-undecyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-undecyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-undecylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-undecyl-pyrimidin-4-one Formula: C29H38FN3O2S MolecularWeight: 511.694323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN3O2S/c1-3-4-5-6-7-8-9-10-11-17-33-21-25(19-24-16-18-32(2)27(34)20-24)28(35)31-29(33)36-22-23-12-14-26(30)15-13-23/h12-16,18,20-21H,3-11,17,19,22H2,1-2H3