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

Systemtic Name: 5-butyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 5-butyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 5-butyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-4-one Formula: C20H25F3N4O MolecularWeight: 394.43391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C20H25F3N4O/c1-3-4-8-17-14(2)24-19(25-18(17)28)27-11-9-26(10-12-27)16-7-5-6-15(13-16)20(21,22)23/h5-7,13H,3-4,8-12H2,1-2H3,(H,24,25,28)