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

Systemtic Name: 7-(2-hydroxyethyl)-8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-benzyloxyphenyl)-7-(2-hydroxyethyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-hydroxyethyl)-8-(3-phenylmethoxyphenyl)purine-2,6-dione Traditional Name: 8-(3-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(=CC=C4)OCC5=CC=CC=C5)CCO

Isomeric SMILES

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

InChI

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