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

Systemtic Name: 2-[4-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(3R)-3-(aminomethyl)-1-piperidyl]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[(3R)-3-(aminomethyl)-1-piperidinyl]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(3R)-3-(aminomethyl)piperidino]methyl]phenyl]-6-butyl-1H-pyrimidin-4-one Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCCC(C3)CN

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCC[C@@H](C3)CN

InChI

InChI=1S/C21H30N4O/c1-2-3-6-19-12-20(26)24-21(23-19)18-9-7-16(8-10-18)14-25-11-4-5-17(13-22)15-25/h7-10,12,17H,2-6,11,13-15,22H2,1H3,(H,23,24,26)/t17-/m1/s1