5-(2-ethylsulfanylethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-(2-ethylsulfanylethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-ethylsulfanylethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(ethylthio)ethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-ethylsulfanylethyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(ethylthio)ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H19FN2OS2 MolecularWeight: 338.463263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2OS2/c1-3-21-9-8-14-11(2)18-16(19-15(14)20)22-10-12-4-6-13(17)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,18,19,20)