N4-(3-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C16H21ClN7O2+ MolecularWeight: 378.83664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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