5-bromanyl-2-[1-(4-methylpiperazin-1-yl)propyl]-3-(phenylmethyl)-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 5-bromanyl-2-[1-(4-methylpiperazin-1-yl)propyl]-3-(phenylmethyl)-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-benzyl-5-bromo-2-[1-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 5-bromo-2-[1-(4-methyl-1-piperazinyl)propyl]-3-(phenylmethyl)-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-benzyl-5-bromo-2-[1-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-benzyl-5-bromo-2-[1-(4-methylpiperazino)propyl]-6-(trifluoromethyl)pyrimidin-4-one Formula: C20H24BrF3N4O MolecularWeight: 473.32997

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(C(=O)N1CC2=CC=CC=C2)Br)C(F)(F)F)N3CCN(CC3)C

Isomeric SMILES

CCC(C1=NC(=C(C(=O)N1CC2=CC=CC=C2)Br)C(F)(F)F)N3CCN(CC3)C

InChI

InChI=1S/C20H24BrF3N4O/c1-3-15(27-11-9-26(2)10-12-27)18-25-17(20(22,23)24)16(21)19(29)28(18)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3