1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]-3-benzyl-7-(2-methoxyethyl)xanthine Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H28N4O6/c1-18(31)20-8-10-22(11-9-20)36-16-21(32)15-30-25(33)23-24(27-17-28(23)12-13-35-2)29(26(30)34)14-19-6-4-3-5-7-19/h3-11,17,21,32H,12-16H2,1-2H3