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

Systemtic Name: 1-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-7-(2-methoxyethyl)xanthine Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N4O6/c1-3-35-21-9-11-22(12-10-21)36-17-20(31)16-30-25(32)23-24(27-18-28(23)13-14-34-2)29(26(30)33)15-19-7-5-4-6-8-19/h4-12,18,20,31H,3,13-17H2,1-2H3