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

Systemtic Name: 8-[3,4-bis(chloranyl)phenoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,4-dichlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dichlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,4-dichlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,4-dichlorophenoxy)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C20H15Cl2FN4O3 MolecularWeight: 449.262503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H15Cl2FN4O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-3-5-12(23)6-4-11)19(24-17)30-13-7-8-14(21)15(22)9-13/h3-9H,10H2,1-2H3