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

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-(2-fluoranylphenoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-(2-fluorophenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-(2-fluorophenoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-(2-fluorophenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-(2-fluorophenoxy)-3,7-dimethyl-xanthine Formula: C20H16BrFN4O3 MolecularWeight: 459.268443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H16BrFN4O3/c1-24-16-17(23-19(24)29-15-6-4-3-5-14(15)22)25(2)20(28)26(18(16)27)11-12-7-9-13(21)10-8-12/h3-10H,11H2,1-2H3