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

Systemtic Name: 2-[4-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(benzylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c24-11-10-21-6-8-22(9-7-21)17-15(23(25)26)16(19-13-20-17)18-12-14-4-2-1-3-5-14/h1-5,13,24H,6-12H2,(H,18,19,20)