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

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine Formula: C22H19FN4O5 MolecularWeight: 438.408463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5F)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5F)C

InChI

InChI=1S/C22H19FN4O5/c1-25-18-19(24-21(25)30-11-13-7-8-16-17(9-13)32-12-31-16)26(2)22(29)27(20(18)28)10-14-5-3-4-6-15(14)23/h3-9H,10-12H2,1-2H3