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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

InChI

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