8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O5/c1-25-18-19(24-21(25)30-11-14-6-7-16-17(9-14)32-12-31-16)26(2)22(29)27(20(18)28)10-13-4-3-5-15(23)8-13/h3-9H,10-12H2,1-2H3