1-[(2-chlorophenyl)methyl]-8-(4-fluoranylphenoxy)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-(4-fluoranylphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(4-fluorophenoxy)-3,7-dimethyl-xanthine Formula: C20H16ClFN4O3 MolecularWeight: 414.817443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H16ClFN4O3/c1-24-16-17(23-19(24)29-14-9-7-13(22)8-10-14)25(2)20(28)26(18(16)27)11-12-5-3-4-6-15(12)21/h3-10H,11H2,1-2H3