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

Systemtic Name: 7-[(4-bromanyl-3,5-dimethyl-phenyl)methyl]-8-(3-chloranylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromo-3,5-dimethyl-phenyl)methyl]-8-(3-chlorophenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromo-3,5-dimethylphenyl)methyl]-8-(3-chlorophenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromo-3,5-dimethylphenyl)methyl]-8-(3-chlorophenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromo-3,5-dimethyl-benzyl)-8-(3-chlorophenoxy)-1,3-dimethyl-xanthine Formula: C22H20BrClN4O3 MolecularWeight: 503.7762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)CN2C3=C(N=C2OC4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)CN2C3=C(N=C2OC4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)C)C

InChI

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