2-bromanyl-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-bromanyl-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C15H17BrN6O4 MolecularWeight: 425.23728

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN6O4/c1-26-8-4-7-17-13-12(22(24)25)14(19-9-18-13)20-21-15(23)10-5-2-3-6-11(10)16/h2-3,5-6,9H,4,7-8H2,1H3,(H,21,23)(H2,17,18,19,20)