9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purine

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purine Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purine CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]purine IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purine Traditional Name: 9-piperonyl-2-(4-piperonylpiperazino)purine Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N(C=N5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C25H24N6O4/c1-3-20-22(34-15-32-20)9-17(1)12-29-5-7-30(8-6-29)25-26-11-19-24(28-25)31(14-27-19)13-18-2-4-21-23(10-18)35-16-33-21/h1-4,9-11,14H,5-8,12-13,15-16H2