2-[4-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H18BrN5O4 MolecularWeight: 424.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN5O4/c17-12-1-3-13(4-2-12)26-16-14(22(24)25)15(18-11-19-16)21-7-5-20(6-8-21)9-10-23/h1-4,11,23H,5-10H2