8-(2-chloranyl-5-methyl-phenoxy)-1-[(4-chloranyl-2-methyl-phenyl)methyl]-3,9-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-chloranyl-5-methyl-phenoxy)-1-[(4-chloranyl-2-methyl-phenyl)methyl]-3,9-dimethyl-purine-2,6-dione Openeye Name: 8-(2-chloro-5-methyl-phenoxy)-1-[(4-chloro-2-methyl-phenyl)methyl]-3,9-dimethyl-purine-2,6-dione CAS Name: 8-(2-chloro-5-methylphenoxy)-1-[(4-chloro-2-methylphenyl)methyl]-3,9-dimethylpurine-2,6-dione IUPAC Name: 8-(2-chloro-5-methylphenoxy)-1-[(4-chloro-2-methylphenyl)methyl]-3,9-dimethylpurine-2,6-dione Traditional Name: 1-(4-chloro-2-methyl-benzyl)-8-(2-chloro-5-methyl-phenoxy)-3,9-dimethyl-xanthine Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC2=NC3=C(N2C)N(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC2=NC3=C(N2C)N(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)C)C

InChI

InChI=1S/C22H20Cl2N4O3/c1-12-5-8-16(24)17(9-12)31-21-25-18-19(26(21)3)27(4)22(30)28(20(18)29)11-14-6-7-15(23)10-13(14)2/h5-10H,11H2,1-4H3