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

Systemtic Name: 7-[(2-bromophenyl)methyl]-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-(1-imidazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-imidazol-1-yl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-8-imidazol-1-yl-1,3-dimethyl-xanthine Formula: C17H15BrN6O2 MolecularWeight: 415.244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=CC=C4Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=CC=C4Br

InChI

InChI=1S/C17H15BrN6O2/c1-21-14-13(15(25)22(2)17(21)26)24(9-11-5-3-4-6-12(11)18)16(20-14)23-8-7-19-10-23/h3-8,10H,9H2,1-2H3