1,3,7,9-tetramethylpurin-9-ium-2,6-dione tetrafluoroborate

Systemtic Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione tetrafluoroborate Openeye Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione tetrafluoroborate CAS Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione tetrafluoroborate IUPAC Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-dione tetrafluoroborate Traditional Name: 1,3,7,9-tetramethylpurin-9-ium-2,6-quinone tetrafluoroborate Formula: C9H13BF4N4O2 MolecularWeight: 296.029733

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C9H13N4O2.BF4/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;2-1(3,4)5/h5H,1-4H3;/q+1;-1