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

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2,4-bis(chloranyl)benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2,4-dichloro-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-2,4-dichlorobenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-2,4-dichloro-benzohydrazide Formula: C21H22Cl2N6O3 MolecularWeight: 477.34378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N6O3/c22-14-1-2-15(16(23)6-14)20(30)28-27-19-17(29(31)32)18(24-10-25-19)26-21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,10-13H,3-5,7-9H2,(H,28,30)(H2,24,25,26,27)