N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O3/c28-19(15-1-3-21-4-2-15)26-25-18-16(27(29)30)17(22-11-23-18)24-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,26,28)(H2,22,23,24,25)