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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

InChI

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