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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CCOC

InChI

InChI=1S/C20H24N4O5/c1-3-4-7-24-18-16(19(25)22-20(24)26)23(8-9-27-2)17(21-18)13-5-6-14-15(12-13)29-11-10-28-14/h5-6,12H,3-4,7-11H2,1-2H3,(H,22,25,26)