9-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione

Systemtic Name: 9-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Openeye Name: 9-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione CAS Name: 9-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione IUPAC Name: 9-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Traditional Name: 9-(3-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(N2CC3=CC(=CC=C3)Br)OC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC(=CC=C3)Br)OC4=CC=C(C=C4)C5=CC=CC=C5

InChI

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