8-(1,3-benzodioxol-5-yloxy)-7-[(4-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(4-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(4-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-7-(4-bromobenzyl)-1,3-dimethyl-xanthine Formula: C21H17BrN4O5 MolecularWeight: 485.28748

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-3-5-13(22)6-4-12)20(23-18)31-14-7-8-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3