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

Systemtic Name: 8-(4-bromanylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(4-bromophenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C20H16BrFN4O3 MolecularWeight: 459.268443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

InChI

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