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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enyl-purine Openeye Name: 9-allyl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-prop-2-enylpurine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine Traditional Name: 9-allyl-2-(4-piperonylpiperazino)purine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N6O2/c1-2-5-26-13-22-16-11-21-20(23-19(16)26)25-8-6-24(7-9-25)12-15-3-4-17-18(10-15)28-14-27-17/h2-4,10-11,13H,1,5-9,12,14H2