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

Systemtic Name: [5-(butanoyloxymethyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl butanoate Openeye Name: [5-(butanoyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl butanoate CAS Name: butanoic acid [4-oxo-5-(1-oxobutoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester IUPAC Name: [5-(butanoyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl butanoate Traditional Name: butyric acid [5-(butyryloxymethyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester Formula: C15H21N4O5+ MolecularWeight: 337.35104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5/c1-3-5-12(20)23-9-18-8-16-14-11(15(18)22)7-19(17-14)10-24-13(21)6-4-2/h7-8H,3-6,9-10H2,1-2H3/p+1