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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-xanthine Formula: C21H18N4O5 MolecularWeight: 406.39142

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3