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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-phenyl-amine Formula: C15H20N7O2+ MolecularWeight: 330.365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O2/c1-20-7-9-21(10-8-20)14-12(22(23)24)13(16)18-15(19-14)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H3,16,17,18,19)/p+1