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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC(=CC=C4)Br

InChI

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