8-(2-chloranylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-chloranylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-chlorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-chlorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-chlorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-chlorophenoxy)-7-(2-fluorobenzyl)-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=CC=C3Cl)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Cl)CC4=CC=CC=C4F

InChI

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