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

Systemtic Name: (4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl propanoate Openeye Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (4-keto-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester Formula: C9H11N4O3+ MolecularWeight: 223.20864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O3/c1-2-7(14)16-5-13-3-6-8(12-13)10-4-11-9(6)15/h3-4H,2,5H2,1H3,(H,10,11,12,15)/p+1