4-bromanyl-N'-[6-(butylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[6-(butylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(butylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-(butylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(butylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(butylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C15H17BrN6O3 MolecularWeight: 409.23788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN6O3/c1-2-3-8-17-13-12(22(24)25)14(19-9-18-13)20-21-15(23)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,21,23)(H2,17,18,19,20)