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

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-2-methylbenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N6O3/c1-13-4-2-3-5-17(13)21(29)27-26-20-18(28(30)31)19(23-12-24-20)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16H,6-11H2,1H3,(H,27,29)(H2,23,24,25,26)