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

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-7-isopropyl-1,3-dimethyl-xanthine Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H18N4O5/c1-9(2)21-13-14(19(3)17(23)20(4)15(13)22)18-16(21)26-10-5-6-11-12(7-10)25-8-24-11/h5-7,9H,8H2,1-4H3