6,8-bis(1,3-benzodioxol-5-yl)-9-propan-2-yl-purine

Systemtic Name: 6,8-bis(1,3-benzodioxol-5-yl)-9-propan-2-yl-purine Openeye Name: 6,8-bis(1,3-benzodioxol-5-yl)-9-isopropyl-purine CAS Name: 6,8-bis(1,3-benzodioxol-5-yl)-9-propan-2-ylpurine IUPAC Name: 6,8-bis(1,3-benzodioxol-5-yl)-9-propan-2-ylpurine Traditional Name: 6,8-bis(1,3-benzodioxol-5-yl)-9-isopropyl-purine Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C(N=CN=C21)C3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)N1C(=NC2=C(N=CN=C21)C3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H18N4O4/c1-12(2)26-21(14-4-6-16-18(8-14)30-11-28-16)25-20-19(23-9-24-22(20)26)13-3-5-15-17(7-13)29-10-27-15/h3-9,12H,10-11H2,1-2H3