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

Systemtic Name: 8-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-9-propan-2-yl-purine Openeye Name: 8-(1,3-benzodioxol-5-yl)-9-isopropyl-6-(4-methoxyphenyl)purine CAS Name: 8-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine IUPAC Name: 8-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine Traditional Name: 8-(1,3-benzodioxol-5-yl)-9-isopropyl-6-(4-methoxyphenyl)purine Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C(N=CN=C21)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)N1C(=NC2=C(N=CN=C21)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O3/c1-13(2)26-21(15-6-9-17-18(10-15)29-12-28-17)25-20-19(23-11-24-22(20)26)14-4-7-16(27-3)8-5-14/h4-11,13H,12H2,1-3H3