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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-7-ethyl-1,3-dimethyl-xanthine Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H16N4O5/c1-4-20-12-13(18(2)16(22)19(3)14(12)21)17-15(20)25-9-5-6-10-11(7-9)24-8-23-10/h5-7H,4,8H2,1-3H3