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

Systemtic Name: 8-[2-[2,4-bis(chloranyl)phenoxy]ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[2-(2,4-dichlorophenoxy)ethoxy]-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C22H19Cl2FN4O4 MolecularWeight: 493.315063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCOC3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCOC3=C(C=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H19Cl2FN4O4/c1-27-19-18(20(30)28(2)22(27)31)29(12-13-3-6-15(25)7-4-13)21(26-19)33-10-9-32-17-8-5-14(23)11-16(17)24/h3-8,11H,9-10,12H2,1-2H3