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

Systemtic Name: 2-bromanyl-N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-bromo-N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-bromo-N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H21BrN6O3 MolecularWeight: 485.33384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN6O3/c1-2-3-6-14-9-11-15(12-10-14)25-19-18(28(30)31)20(24-13-23-19)26-27-21(29)16-7-4-5-8-17(16)22/h4-5,7-13H,2-3,6H2,1H3,(H,27,29)(H2,23,24,25,26)