8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CCOC

InChI

InChI=1S/C20H24N4O5/c1-12(2)11-24-18-16(19(25)22-20(24)26)23(6-7-27-3)17(21-18)13-4-5-14-15(10-13)29-9-8-28-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,25,26)