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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=C(C=CC=C3Cl)F

InChI

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