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

Systemtic Name: 8-bromanyl-7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chloro-6-fluoro-benzyl)-3-methyl-xanthine Formula: C13H9BrClFN4O2 MolecularWeight: 387.591563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C13H9BrClFN4O2/c1-19-10-9(11(21)18-13(19)22)20(12(14)17-10)5-6-7(15)3-2-4-8(6)16/h2-4H,5H2,1H3,(H,18,21,22)