7-[(3-bromophenyl)methyl]-8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-[(4-chlorophenyl)methylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-[(4-chlorophenyl)methylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[(4-chlorobenzyl)amino]-1,3-dimethyl-xanthine Formula: C21H19BrClN5O2 MolecularWeight: 488.76486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrClN5O2/c1-26-18-17(19(29)27(2)21(26)30)28(12-14-4-3-5-15(22)10-14)20(25-18)24-11-13-6-8-16(23)9-7-13/h3-10H,11-12H2,1-2H3,(H,24,25)