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

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)xanthine Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O5/c1-30-10-9-26-21-19(22(28)25-23(26)29)27(14-15-5-3-2-4-6-15)20(24-21)16-7-8-17-18(13-16)32-12-11-31-17/h2-8,13H,9-12,14H2,1H3,(H,25,28,29)