8-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-[2-(2,4-dichlorophenoxy)ethoxy]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-[2-(2,4-dichlorophenoxy)ethoxy]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-[2-(2,4-dichlorophenoxy)ethoxy]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-[2-(2,4-dichlorophenoxy)ethoxy]-3,7-dimethyl-xanthine Formula: C22H19Cl3N4O4 MolecularWeight: 509.76966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCCOC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1OCCOC3=C(C=C(C=C3)Cl)Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H19Cl3N4O4/c1-27-18-19(26-21(27)33-10-9-32-17-8-7-14(23)11-16(17)25)28(2)22(31)29(20(18)30)12-13-5-3-4-6-15(13)24/h3-8,11H,9-10,12H2,1-2H3