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

Systemtic Name: 7-(2-hydroxyethyl)-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-phenylphenyl)xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

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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)C5=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)C5=CC=CC=C5)CCO

InChI

InChI=1S/C26H22N4O3/c31-16-15-29-22-24(30(26(33)28-25(22)32)17-18-7-3-1-4-8-18)27-23(29)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,31H,15-17H2,(H,28,32,33)