2-[4-[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(5-bromo-3-pyridinyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(5-bromopyridin-3-yl)-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]piperazino]ethanol Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5O/c22-18-12-17(14-23-15-18)19-13-20(27-8-6-26(7-9-27)10-11-28)25-21(24-19)16-4-2-1-3-5-16/h1-5,12-15,28H,6-11H2