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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(3-bromobenzyl)-1,3-dimethyl-xanthine Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5O2/c1-25(13-15-8-5-4-6-9-15)21-24-19-18(20(29)27(3)22(30)26(19)2)28(21)14-16-10-7-11-17(23)12-16/h4-12H,13-14H2,1-3H3