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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CNC(=O)N=C1)C2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCCCCCCC(C1=CNC(=O)N=C1)C2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C28H37FN4O2S/c1-3-4-5-6-7-8-9-10-11-12-24(22-17-30-27(35)31-18-22)25-19-33(2)28(32-26(25)34)36-20-21-13-15-23(29)16-14-21/h13-19,24H,3-12,20H2,1-2H3,(H,30,31,35)