7-(2-hydroxyethyl)-8-(4-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-8-(4-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-benzyloxyphenyl)-7-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(4-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-phenylmethoxyphenyl)purine-2,6-dione Traditional Name: 8-(4-benzoxyphenyl)-3-benzyl-7-(2-hydroxyethyl)xanthine Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)CCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)CCO

InChI

InChI=1S/C27H24N4O4/c32-16-15-30-23-25(31(27(34)29-26(23)33)17-19-7-3-1-4-8-19)28-24(30)21-11-13-22(14-12-21)35-18-20-9-5-2-6-10-20/h1-14,32H,15-18H2,(H,29,33,34)