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

Systemtic Name: 2-azanyl-7-propyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Openeye Name: 2-amino-7-propyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate CAS Name: 2-amino-7-propyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate IUPAC Name: 2-amino-7-propyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Traditional Name: 2-amino-7-propyl-3,9-dihydropurin-7-ium-6-one tetrafluoroborate Formula: C8H12BF4N5O MolecularWeight: 281.018393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N5O.BF4/c1-2-3-13-4-10-6-5(13)7(14)12-8(9)11-6;2-1(3,4)5/h4H,2-3H2,1H3,(H3,9,11,12,14);/q;-1/p+1