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

Systemtic Name: N4-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-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]-(3,4-dimethylphenyl)amine Formula: C18H26N7O2+ MolecularWeight: 372.44474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O2/c1-4-23-7-9-24(10-8-23)18-21-16(19)15(25(26)27)17(22-18)20-14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3,(H3,19,20,21,22)/p+1