1-ethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperidin-3-amine dihydrochloride

Systemtic Name: 1-ethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperidin-3-amine dihydrochloride Openeye Name: 1-ethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]piperidin-3-amine dihydrochloride CAS Name: 1-ethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]-3-piperidinamine dihydrochloride IUPAC Name: 1-ethyl-N-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]piperidin-3-amine dihydrochloride Traditional Name: (1-ethyl-3-piperidyl)-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]amine dihydrochloride Formula: C25H31Cl2N5O2 MolecularWeight: 504.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NCC2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCN1CCCC(C1)NCC2=C(N=C(N=C2C)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C25H29N5O2.2ClH/c1-3-29-14-8-12-21(17-29)26-16-23-18(2)27-25(19-9-5-4-6-10-19)28-24(23)20-11-7-13-22(15-20)30(31)32;;/h4-7,9-11,13,15,21,26H,3,8,12,14,16-17H2,1-2H3;2*1H