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

Systemtic Name: 8-bromanyl-9-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H15BrN6O4 MolecularWeight: 447.2428

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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=C(C=C4)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6O4/c1-22-14-12(15(25)23(2)17(22)26)20-16(18)24(14)8-11-19-13(21-28-11)9-4-6-10(27-3)7-5-9/h4-7H,8H2,1-3H3