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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C16H22N7O2+ MolecularWeight: 344.39158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O2/c1-21-7-9-22(10-8-21)15-13(23(24)25)14(17)19-16(20-15)18-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,17,18,19,20)/p+1