2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C16H22N7O2+ MolecularWeight: 344.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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