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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

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