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

Systemtic Name: 8-(4-bromanylphenoxy)-7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-bromophenoxy)-7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-bromophenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-bromophenoxy)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C20H15BrClFN4O3 MolecularWeight: 493.713503

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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)Br)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)Br)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H15BrClFN4O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-13-14(22)4-3-5-15(13)23)19(24-17)30-12-8-6-11(21)7-9-12/h3-9H,10H2,1-2H3