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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N6O4/c1-32-17-5-3-2-4-16(17)21(29)27-26-20-18(28(30)31)19(23-12-24-20)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,27,29)(H2,23,24,25,26)