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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethyl-xanthine Formula: C15H14N4O5 MolecularWeight: 330.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14N4O5/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)24-8-4-5-9-10(6-8)23-7-22-9/h4-6H,7H2,1-3H3