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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H34N7O2+ MolecularWeight: 488.60456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)N)[N+](=O)[O-])N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)N)[N+](=O)[O-])N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N7O2/c28-25-24(34(35)36)26(32-17-15-31(16-18-32)20-23-9-5-2-6-10-23)30-27(29-25)33-13-11-22(12-14-33)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2,(H2,28,29,30)/p+1