9-[[2,3-bis(fluoranyl)phenyl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[2,3-bis(fluoranyl)phenyl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(2,3-difluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(2,3-difluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(2,3-difluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-(2,3-difluorobenzyl)-1,3-dimethyl-xanthine Formula: C14H11BrF2N4O2 MolecularWeight: 385.163546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C(=CC=C3)F)F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C(=CC=C3)F)F)Br

InChI

InChI=1S/C14H11BrF2N4O2/c1-19-11-10(12(22)20(2)14(19)23)18-13(15)21(11)6-7-4-3-5-8(16)9(7)17/h3-5H,6H2,1-2H3