N2-(3-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3-chlorophenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-chlorophenyl)-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-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]-(3-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(=CC=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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