N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-piperonyl-amine Formula: C24H24N6O6 MolecularWeight: 492.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O6/c31-30(32)22-23(25-11-16-1-3-18-20(9-16)35-14-33-18)26-13-27-24(22)29-7-5-28(6-8-29)12-17-2-4-19-21(10-17)36-15-34-19/h1-4,9-10,13H,5-8,11-12,14-15H2,(H,25,26,27)