2-[[4-azanyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-azanyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C12H22N7O3+ MolecularWeight: 312.34818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N7O3/c1-2-17-4-6-18(7-5-17)11-9(19(21)22)10(13)15-12(16-11)14-3-8-20/h20H,2-8H2,1H3,(H3,13,14,15,16)/p+1