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

Systemtic Name: 2-(2-butylsulfanylethylsulfanyl)-5-[(4-fluorophenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(2-butylsulfanylethylsulfanyl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[2-(butylthio)ethylthio]-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-(2-butylsulfanylethylsulfanyl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[2-(butylthio)ethylthio]-5-(4-fluorobenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C17H21FN2O2S2 MolecularWeight: 368.489243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

Isomeric SMILES

CCCCSCCSC1=NC(=C(C(=O)N1)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C17H21FN2O2S2/c1-2-3-8-23-9-10-24-17-19-15(21)14(16(22)20-17)11-12-4-6-13(18)7-5-12/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21,22)