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

Systemtic Name: 7-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromo-2-fluoro-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromo-2-fluorophenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromo-2-fluorophenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromo-2-fluoro-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C14H11BrClFN4O2 MolecularWeight: 401.618143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C14H11BrClFN4O2/c1-19-11-10(12(22)20(2)14(19)23)21(13(16)18-11)6-7-3-4-8(15)5-9(7)17/h3-5H,6H2,1-2H3