8-bromanyl-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-ethyl-3-methyl-xanthine Formula: C8H9BrN4O2 MolecularWeight: 273.08666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C8H9BrN4O2/c1-3-13-4-5(10-7(13)9)12(2)8(15)11-6(4)14/h3H2,1-2H3,(H,11,14,15)