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

Systemtic Name: 2-bromanyl-N'-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H20BrN7O3 MolecularWeight: 450.2898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrN7O3/c1-2-23-7-9-24(10-8-23)16-14(25(27)28)15(19-11-20-16)21-22-17(26)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3,(H,22,26)(H,19,20,21)