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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-8-(3,4-dimethoxyphenyl)-9-propan-2-yl-purine Openeye Name: 6-(1,3-benzodioxol-5-yl)-8-(3,4-dimethoxyphenyl)-9-isopropyl-purine CAS Name: 6-(1,3-benzodioxol-5-yl)-8-(3,4-dimethoxyphenyl)-9-propan-2-ylpurine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-8-(3,4-dimethoxyphenyl)-9-propan-2-ylpurine Traditional Name: 6-(1,3-benzodioxol-5-yl)-8-(3,4-dimethoxyphenyl)-9-isopropyl-purine Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-13(2)27-22(15-6-7-16(28-3)18(10-15)29-4)26-21-20(24-11-25-23(21)27)14-5-8-17-19(9-14)31-12-30-17/h5-11,13H,12H2,1-4H3