2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N5O5/c1-2-19(5-6-21)15-13(20(22)23)14(16-8-17-15)18-10-3-4-11-12(7-10)25-9-24-11/h3-4,7-8,21H,2,5-6,9H2,1H3,(H,16,17,18)