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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-fluorophenyl)methyl]-2-(2-isopentylsulfanylethylsulfanyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-[2-(3-methylbutylthio)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-fluorobenzyl)-2-[2-(isoamylthio)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C19H25FN2OS2 MolecularWeight: 380.543003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCSCCC(C)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCSCCC(C)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C19H25FN2OS2/c1-13(2)8-9-24-10-11-25-19-21-14(3)17(18(23)22-19)12-15-4-6-16(20)7-5-15/h4-7,13H,8-12H2,1-3H3,(H,21,22,23)