7-[[4-[4-(bromomethyl)phenyl]carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[4-[4-(bromomethyl)phenyl]carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-[4-(bromomethyl)benzoyl]phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[[4-(bromomethyl)phenyl]-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-[4-(bromomethyl)benzoyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(bromomethyl)benzoyl]benzyl]-1,3-dimethyl-xanthine Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CBr

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CBr

InChI

InChI=1S/C22H19BrN4O3/c1-25-20-18(21(29)26(2)22(25)30)27(13-24-20)12-15-5-9-17(10-6-15)19(28)16-7-3-14(11-23)4-8-16/h3-10,13H,11-12H2,1-2H3