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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

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