N2-(4-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(4-chlorophenyl)amine Formula: C16H21ClN7O2+ MolecularWeight: 378.83664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN7O2/c1-2-22-7-9-23(10-8-22)15-13(24(25)26)14(18)20-16(21-15)19-12-5-3-11(17)4-6-12/h3-6H,2,7-10H2,1H3,(H3,18,19,20,21)/p+1