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

Systemtic Name: 2-[[4-azanyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C11H20N7O3+ MolecularWeight: 298.3216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N7O3/c1-16-3-5-17(6-4-16)10-8(18(20)21)9(12)14-11(15-10)13-2-7-19/h19H,2-7H2,1H3,(H3,12,13,14,15)/p+1