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

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-4-fluorobenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-4-fluorobenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide Formula: C21H23FN6O3 MolecularWeight: 426.444123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN6O3/c22-16-3-1-15(2-4-16)20(29)27-26-19-17(28(30)31)18(23-11-24-19)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,29)(H2,23,24,25,26)