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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H21FN2OS MolecularWeight: 320.424843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C17H21FN2OS/c1-3-4-5-6-15-12(2)19-17(20-16(15)21)22-11-13-7-9-14(18)10-8-13/h7-10H,3-6,11H2,1-2H3,(H,19,20,21)