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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C21H17FN4O5 MolecularWeight: 424.381883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3