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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C17H21FN2OS MolecularWeight: 320.424843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CCC(C)C

InChI

InChI=1S/C17H21FN2OS/c1-11(2)4-9-15-12(3)19-17(20-16(15)21)22-10-13-5-7-14(18)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,21)