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

Systemtic Name: 5-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-butyl-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H19FN2OS MolecularWeight: 306.398263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C16H19FN2OS/c1-3-4-5-14-11(2)18-16(19-15(14)20)21-10-12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3,(H,18,19,20)