6-(1,3-benzodioxol-5-yl)-9-propan-2-yl-8-(3,4,5-trimethoxyphenyl)purine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-9-propan-2-yl-8-(3,4,5-trimethoxyphenyl)purine Openeye Name: 6-(1,3-benzodioxol-5-yl)-9-isopropyl-8-(3,4,5-trimethoxyphenyl)purine CAS Name: 6-(1,3-benzodioxol-5-yl)-9-propan-2-yl-8-(3,4,5-trimethoxyphenyl)purine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-9-propan-2-yl-8-(3,4,5-trimethoxyphenyl)purine Traditional Name: 6-(1,3-benzodioxol-5-yl)-9-isopropyl-8-(3,4,5-trimethoxyphenyl)purine Formula: C24H24N4O5 MolecularWeight: 448.47116

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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=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O5/c1-13(2)28-23(15-9-18(29-3)22(31-5)19(10-15)30-4)27-21-20(25-11-26-24(21)28)14-6-7-16-17(8-14)33-12-32-16/h6-11,13H,12H2,1-5H3