N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)COC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)COC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c29-18(12-32-17-4-2-1-3-5-17)26-27-21-19(28(30)31)20(23-13-24-21)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,13-16H,6-12H2,(H,26,29)(H2,23,24,25,27)