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

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Formula: C22H25N7O5 MolecularWeight: 467.4778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)CC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NNC(=O)CC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O5/c30-18(8-13-1-3-17(4-2-13)28(31)32)26-27-21-19(29(33)34)20(23-12-24-21)25-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,12,14-16H,5-11H2,(H,26,30)(H2,23,24,25,27)