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

Systemtic Name: 2-azanyl-7-ethyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Openeye Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate CAS Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate IUPAC Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Traditional Name: 2-amino-7-ethyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Formula: C7H10BF4N5O MolecularWeight: 266.991813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N5O.BF4/c1-2-12-3-9-5-4(12)6(13)11-7(8)10-5;2-1(3,4)5/h3H,2H2,1H3,(H3,8,10,11,13);/q;-1/p+1