5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H33N8O2+ MolecularWeight: 489.59262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

InChI

InChI=1S/C26H32N8O2/c27-24-23(34(35)36)25(32-15-11-30(12-16-32)19-21-7-3-1-4-8-21)29-26(28-24)33-17-13-31(14-18-33)20-22-9-5-2-6-10-22/h1-10H,11-20H2,(H2,27,28,29)/p+1