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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(diphenylmethyl)oxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-benzhydryloxy-7-[(4-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(diphenylmethyl)oxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-benzhydryloxy-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzhydryloxy-7-(4-bromobenzyl)-1,3-dimethyl-xanthine Formula: C27H23BrN4O3 MolecularWeight: 531.40052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrN4O3/c1-30-24-22(25(33)31(2)27(30)34)32(17-18-13-15-21(28)16-14-18)26(29-24)35-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,17H2,1-2H3