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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-(4-fluorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C17H21FN2OS MolecularWeight: 320.424843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2OS/c1-3-4-5-10-22-17-19-12(2)15(16(21)20-17)11-13-6-8-14(18)9-7-13/h6-9H,3-5,10-11H2,1-2H3,(H,19,20,21)