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

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C20H27FN4O MolecularWeight: 358.452983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3F)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3F)CCC(C)C

InChI

InChI=1S/C20H27FN4O/c1-14(2)8-9-16-15(3)22-20(23-19(16)26)25-12-10-24(11-13-25)18-7-5-4-6-17(18)21/h4-7,14H,8-13H2,1-3H3,(H,22,23,26)