5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-(phenylmethyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C22H26N7O2+ MolecularWeight: 420.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O2/c23-20-19(29(30)31)21(26-22(25-20)24-15-17-7-3-1-4-8-17)28-13-11-27(12-14-28)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,23,24,25,26)/p+1