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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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