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

Systemtic Name: N2-(2,5-dimethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2,5-dimethoxyphenyl)-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-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]-(2,5-dimethoxyphenyl)amine Formula: C18H26N7O4+ MolecularWeight: 404.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O4/c1-4-23-7-9-24(10-8-23)17-15(25(26)27)16(19)21-18(22-17)20-13-11-12(28-2)5-6-14(13)29-3/h5-6,11H,4,7-10H2,1-3H3,(H3,19,20,21,22)/p+1