8-[[4-[4-(bromomethyl)phenyl]carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-[4-(bromomethyl)phenyl]carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-[4-(bromomethyl)benzoyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-[[4-(bromomethyl)phenyl]-oxomethyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-[4-(bromomethyl)benzoyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-[4-(bromomethyl)benzoyl]benzyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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