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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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