7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-(4-phenylphenoxy)xanthine Formula: C26H21BrN4O3 MolecularWeight: 517.37394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H21BrN4O3/c1-29-23-22(24(32)30(2)26(29)33)31(16-17-8-12-20(27)13-9-17)25(28-23)34-21-14-10-19(11-15-21)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3