N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C21H23N7O5 MolecularWeight: 453.45122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O5/c29-20(15-2-1-3-16(7-15)27(30)31)26-25-19-17(28(32)33)18(22-11-23-19)24-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2,(H,26,29)(H2,22,23,24,25)