2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-pentyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-pentyl-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-pentyl-1H-pyrimidin-6-one Traditional Name: 5-amyl-2-[(4-fluorobenzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C16H19FN2O2S MolecularWeight: 322.397663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H19FN2O2S/c1-2-3-4-5-13-14(20)18-16(19-15(13)21)22-10-11-6-8-12(17)9-7-11/h6-9H,2-5,10H2,1H3,(H2,18,19,20,21)