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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H26N7O2+ MolecularWeight: 372.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N7O2/c1-2-23-10-12-24(13-11-23)17-15(25(26)27)16(19)21-18(22-17)20-9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H3,19,20,21,22)/p+1