8-bromanyl-3,9-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3,9-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-3,9-dimethyl-purine-2,6-dione CAS Name: 8-bromo-3,9-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-3,9-dimethylpurine-2,6-dione Traditional Name: 8-bromo-3,9-dimethyl-xanthine Formula: C7H7BrN4O2 MolecularWeight: 259.06008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2C)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2C)Br

InChI

InChI=1S/C7H7BrN4O2/c1-11-5-3(9-6(11)8)4(13)10-7(14)12(5)2/h1-2H3,(H,10,13,14)