[4-oxidanylidene-5-(propanoyloxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl propanoate

Systemtic Name: [4-oxidanylidene-5-(propanoyloxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl propanoate Openeye Name: [4-oxo-5-(propanoyloxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl propanoate CAS Name: propanoic acid [4-oxo-5-(1-oxopropoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester IUPAC Name: [4-oxo-5-(propanoyloxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl propanoate Traditional Name: propionic acid [4-keto-5-(propionyloxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester Formula: C13H17N4O5+ MolecularWeight: 309.29788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)CC)N1

Isomeric SMILES

CCC(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)CC)N1

InChI

InChI=1S/C13H16N4O5/c1-3-10(18)21-7-16-6-14-12-9(13(16)20)5-17(15-12)8-22-11(19)4-2/h5-6H,3-4,7-8H2,1-2H3/p+1