sodium 8-bromanyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: sodium 8-bromanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: sodium 8-bromo-3,7-dimethyl-purine-2,6-dione CAS Name: sodium 8-bromo-3,7-dimethylpurine-2,6-dione IUPAC Name: sodium 8-bromo-3,7-dimethylpurine-2,6-dione Traditional Name: sodium 8-bromo-3,7-dimethyl-xanthine Formula: C7H7BrN4NaO2+ MolecularWeight: 282.04985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)NC2=O)C.[Na+]

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)NC2=O)C.[Na+]

InChI

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