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

Systemtic Name: [5-(acetyloxymethyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ethanoate Openeye Name: [5-(acetoxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl acetate CAS Name: acetic acid [5-(acetyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester IUPAC Name: [5-(acetyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl acetate Traditional Name: acetic acid [5-(acetoxymethyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester Formula: C11H13N4O5+ MolecularWeight: 281.24472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O5/c1-7(16)19-5-14-4-12-10-9(11(14)18)3-15(13-10)6-20-8(2)17/h3-4H,5-6H2,1-2H3/p+1