5-[(4-fluorophenyl)methyl]-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-isopentylsulfanylethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-[2-(3-methylbutylthio)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-fluorobenzyl)-4-hydroxy-2-[2-(isoamylthio)ethylthio]-1H-pyrimidin-6-one Formula: C18H23FN2O2S2 MolecularWeight: 382.515823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

Isomeric SMILES

CC(C)CCSCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C18H23FN2O2S2/c1-12(2)7-8-24-9-10-25-18-20-16(22)15(17(23)21-18)11-13-3-5-14(19)6-4-13/h3-6,12H,7-11H2,1-2H3,(H2,20,21,22,23)