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

Systemtic Name: 2-[4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazino]ethanol Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c24-9-8-21-4-6-22(7-5-21)16-14(23(25)26)15(19-12-20-16)18-11-13-2-1-3-17-10-13/h1-3,10,12,24H,4-9,11H2,(H,18,19,20)