8-bromanyl-7-ethanoyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-ethanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-acetyl-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 7-acetyl-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-acetyl-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-acetyl-8-bromo-1,3-dimethyl-xanthine Formula: C9H9BrN4O3 MolecularWeight: 301.09676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)N1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C9H9BrN4O3/c1-4(15)14-5-6(11-8(14)10)12(2)9(17)13(3)7(5)16/h1-3H3