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

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

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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)F)CC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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