1-[2-[6-oxidanylidene-2-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]ethyl]piperidine-4-carbaldehyde dihydrochloride

Systemtic Name: 1-[2-[6-oxidanylidene-2-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]ethyl]piperidine-4-carbaldehyde dihydrochloride Openeye Name: 1-[2-[2-(benzylamino)-6-oxo-1H-pyrimidin-5-yl]ethyl]piperidine-4-carbaldehyde dihydrochloride CAS Name: 1-[2-[6-oxo-2-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]ethyl]-4-piperidinecarboxaldehyde dihydrochloride IUPAC Name: 1-[2-[2-(benzylamino)-6-oxo-1H-pyrimidin-5-yl]ethyl]piperidine-4-carbaldehyde dihydrochloride Traditional Name: 1-[2-[2-(benzylamino)-6-keto-1H-pyrimidin-5-yl]ethyl]isonipecotaldehyde dihydrochloride Formula: C19H26Cl2N4O2 MolecularWeight: 413.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C=O)CCC2=CN=C(NC2=O)NCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCC1C=O)CCC2=CN=C(NC2=O)NCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C19H24N4O2.2ClH/c24-14-16-6-9-23(10-7-16)11-8-17-13-21-19(22-18(17)25)20-12-15-4-2-1-3-5-15;;/h1-5,13-14,16H,6-12H2,(H2,20,21,22,25);2*1H