2-azanyl-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate

Systemtic Name: 2-azanyl-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Openeye Name: 2-amino-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate CAS Name: 2-amino-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate IUPAC Name: 2-amino-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Traditional Name: 2-amino-7-methyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Formula: C6H8BF4N5O MolecularWeight: 252.965233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CNC2=C1C(=O)N=C(N2)N

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CNC2=C1C(=O)N=C(N2)N

InChI

InChI=1S/C6H7N5O.BF4/c1-11-2-8-4-3(11)5(12)10-6(7)9-4;2-1(3,4)5/h2H,1H3,(H3,7,9,10,12);/q;-1/p+1