(4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ethanoate

Systemtic Name: (4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ethanoate Openeye Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl acetate CAS Name: acetic acid (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl acetate Traditional Name: acetic acid (4-keto-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester Formula: C8H9N4O3+ MolecularWeight: 209.18206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC[N+]1=CC2=C(N1)NC=NC2=O

Isomeric SMILES

CC(=O)OC[N+]1=CC2=C(N1)NC=NC2=O

InChI

InChI=1S/C8H8N4O3/c1-5(13)15-4-12-2-6-7(11-12)9-3-10-8(6)14/h2-3H,4H2,1H3,(H,9,10,11,14)/p+1