6-butyl-2-[2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-[2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[2-[[(3S)-3-(dimethylamino)-1-piperidyl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[2-[[(3S)-3-(dimethylamino)-1-piperidinyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[2-[[(3S)-3-(dimethylamino)piperidino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2CN3CCCC(C3)N(C)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2CN3CCC[C@@H](C3)N(C)C

InChI

InChI=1S/C22H32N4O/c1-4-5-10-18-14-21(27)24-22(23-18)20-12-7-6-9-17(20)15-26-13-8-11-19(16-26)25(2)3/h6-7,9,12,14,19H,4-5,8,10-11,13,15-16H2,1-3H3,(H,23,24,27)/t19-/m0/s1