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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H20N4O5 MolecularWeight: 456.4501

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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=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C25H20N4O5/c1-27-22-21(23(30)28(2)25(27)31)29(13-16-8-5-7-15-6-3-4-9-18(15)16)24(26-22)34-17-10-11-19-20(12-17)33-14-32-19/h3-12H,13-14H2,1-2H3