7-[(4-bromophenyl)methyl]-8-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethyl-phenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(4-chloro-3,5-dimethyl-phenoxy)-1,3-dimethyl-xanthine Formula: C22H20BrClN4O3 MolecularWeight: 503.7762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H20BrClN4O3/c1-12-9-16(10-13(2)17(12)24)31-21-25-19-18(20(29)27(4)22(30)26(19)3)28(21)11-14-5-7-15(23)8-6-14/h5-10H,11H2,1-4H3