7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C16H13BrN6O3 MolecularWeight: 417.21682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C16H13BrN6O3/c1-21-14-12(15(24)22(2)16(21)25)23(8-18-14)7-11-19-13(20-26-11)9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3