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

Systemtic Name: 2-[4-[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazino]ethanol Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c29-15-14-26-10-12-27(13-11-26)22-20(28(30)31)21(23-16-24-22)25-17-6-8-19(9-7-17)32-18-4-2-1-3-5-18/h1-9,16,29H,10-15H2,(H,23,24,25)