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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

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