6-methyl-5-pentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-pentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-pentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-pentyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-pentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 5-amyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-4-one Formula: C21H27F3N4O MolecularWeight: 408.46049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C21H27F3N4O/c1-3-4-5-9-18-15(2)25-20(26-19(18)29)28-12-10-27(11-13-28)17-8-6-7-16(14-17)21(22,23)24/h6-8,14H,3-5,9-13H2,1-2H3,(H,25,26,29)