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

Systemtic Name: 4-bromanyl-N'-[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C16H13BrN6O4 MolecularWeight: 433.21622

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN6O4/c17-11-5-3-10(4-6-11)16(24)22-21-15-13(23(25)26)14(19-9-20-15)18-8-12-2-1-7-27-12/h1-7,9H,8H2,(H,22,24)(H2,18,19,20,21)