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

Systemtic Name: 8-bromanyl-9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dimethyl-xanthine Formula: C12H13BrN6O3 MolecularWeight: 369.17402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCC1=NOC(=N1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C12H13BrN6O3/c1-4-6-14-7(22-16-6)5-19-9-8(15-11(19)13)10(20)18(3)12(21)17(9)2/h4-5H2,1-3H3