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

Systemtic Name: 2-bromanyl-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]benzohydrazide Formula: C21H20BrN7O3 MolecularWeight: 498.3326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN7O3/c22-17-9-5-4-8-16(17)21(30)26-25-19-18(29(31)32)20(24-14-23-19)28-12-10-27(11-13-28)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,26,30)(H,23,24,25)