N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-chloranyl-benzohydrazide

Systemtic Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-chloranyl-benzohydrazide Openeye Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide CAS Name: N'-[6-(1-adamantylamino)-5-nitro-4-pyrimidinyl]-3-chlorobenzohydrazide IUPAC Name: N'-[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide Traditional Name: N'-[6-(1-adamantylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C21H23ClN6O3 MolecularWeight: 442.89872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O3/c22-16-3-1-2-15(7-16)20(29)27-26-19-17(28(30)31)18(23-11-24-19)25-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2,(H,27,29)(H2,23,24,25,26)