5-[(4-fluorophenyl)methyl]-4-oxidanyl-2-pentylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-4-oxidanyl-2-pentylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-pentylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-(pentylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-pentylsulfanyl-1H-pyrimidin-6-one Traditional Name: 2-(amylthio)-5-(4-fluorobenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C16H19FN2O2S MolecularWeight: 322.397663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

Isomeric SMILES

CCCCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H19FN2O2S/c1-2-3-4-9-22-16-18-14(20)13(15(21)19-16)10-11-5-7-12(17)8-6-11/h5-8H,2-4,9-10H2,1H3,(H2,18,19,20,21)