N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-2-furohydrazide Formula: C21H21N7O6 MolecularWeight: 467.43474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC(=O)C5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O6/c29-21(16-2-1-9-32-16)25-24-19-18(28(30)31)20(23-12-22-19)27-7-5-26(6-8-27)11-14-3-4-15-17(10-14)34-13-33-15/h1-4,9-10,12H,5-8,11,13H2,(H,25,29)(H,22,23,24)