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

Systemtic Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(2-bromobenzyl)-1,3-dimethyl-xanthine Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC=C4Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrN5O2/c1-25-18-17(19(28)26(2)21(25)29)27(13-15-10-6-7-11-16(15)22)20(24-18)23-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,23,24)