8-(1,3-benzodioxol-5-ylmethoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-benzyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-benzyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-piperonyloxy-xanthine Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C22H20N4O5/c1-24-18-19(23-21(24)29-12-15-8-9-16-17(10-15)31-13-30-16)25(2)22(28)26(20(18)27)11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3