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

Systemtic Name: 8-(4-chloranylphenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chlorophenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chlorophenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenoxy)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-chlorophenoxy)-7-(3-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=C(C=C3)Cl)CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

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