2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-(butylamino)-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(butylamino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C12H21N5O3 MolecularWeight: 283.32684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CC)CCO)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CC)CCO)[N+](=O)[O-]

InChI

InChI=1S/C12H21N5O3/c1-3-5-6-13-11-10(17(19)20)12(15-9-14-11)16(4-2)7-8-18/h9,18H,3-8H2,1-2H3,(H,13,14,15)