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

Systemtic Name: 4-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide CAS Name: 4-nitro-N'-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-nitro-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-nitro-N'-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C21H20N8O5 MolecularWeight: 464.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H20N8O5/c30-21(15-6-8-17(9-7-15)28(31)32)25-24-19-18(29(33)34)20(23-14-22-19)27-12-10-26(11-13-27)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,25,30)(H,22,23,24)