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

Systemtic Name: 2-[4-[6-[(5-bromanylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(5-bromo-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(5-bromopyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C15H18BrN7O3 MolecularWeight: 424.25252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H18BrN7O3/c16-11-1-2-12(17-9-11)20-14-13(23(25)26)15(19-10-18-14)22-5-3-21(4-6-22)7-8-24/h1-2,9-10,24H,3-8H2,(H,17,18,19,20)