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

Systemtic Name: N4-(4-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-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]-p-phenetyl-amine Formula: C18H26N7O3+ MolecularWeight: 388.44414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O3/c1-3-23-9-11-24(12-10-23)18-21-16(19)15(25(26)27)17(22-18)20-13-5-7-14(8-6-13)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H3,19,20,21,22)/p+1