8-bromanyl-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C16H12Br2N6O3 MolecularWeight: 496.11288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)C4=CC(=CC=C4)Br)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NO3)C4=CC(=CC=C4)Br)Br

InChI

InChI=1S/C16H12Br2N6O3/c1-22-13-11(14(25)23(2)16(22)26)20-15(18)24(13)7-10-19-12(21-27-10)8-4-3-5-9(17)6-8/h3-6H,7H2,1-2H3