5-nitro-2,6-bis[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-2,6-bis[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 2,6-bis(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-2,6-bis[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 2,6-bis(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2,6-bis(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCC(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCC(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

InChI

InChI=1S/C28H34N6O2/c29-26-25(34(35)36)27(32-15-11-23(12-16-32)19-21-7-3-1-4-8-21)31-28(30-26)33-17-13-24(14-18-33)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2,(H2,29,30,31)