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2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name:2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol
Openeye Name:2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol
CAS Name:2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol
IUPAC Name:2-[4-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol
Traditional Name:2-[4-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]piperazino]ethanol
Formula: C18H22N6O5
MolecularWeight: 402.40448
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


InChI

InChI=1S/C18H22N6O5/c25-8-7-22-3-5-23(6-4-22)18-16(24(26)27)17(20-11-21-18)19-10-13-1-2-14-15(9-13)29-12-28-14/h1-2,9,11,25H,3-8,10,12H2,(H,19,20,21)


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