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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanyl-5-(2-prop-2-enylsulfanylethyl)-1H-pyrimidin-6-one Openeye Name: 5-(2-allylsulfanylethyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-[2-(prop-2-enylthio)ethyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-(2-prop-2-enylsulfanylethyl)-1H-pyrimidin-6-one Traditional Name: 5-[2-(allylthio)ethyl]-2-[(4-fluorobenzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

Isomeric SMILES

C=CCSCCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H17FN2O2S2/c1-2-8-22-9-7-13-14(20)18-16(19-15(13)21)23-10-11-3-5-12(17)6-4-11/h2-6H,1,7-10H2,(H2,18,19,20,21)