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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-22-9-11-23(12-10-22)16-14(24(25)26)15(18)20-17(21-16)19-8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H3,18,19,20,21)/p+1