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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Br)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Br)C

InChI

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