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

Systemtic Name: (4-oxidanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl 2,2-dimethylpropanoate Openeye Name: (4-oxo-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-keto-1,7-dihydropyrazolo[3,4-d]pyrimidin-2-ium-2-yl)methyl ester Formula: C11H15N4O3+ MolecularWeight: 251.2618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3/c1-11(2,3)10(17)18-6-15-4-7-8(14-15)12-5-13-9(7)16/h4-5H,6H2,1-3H3,(H,12,13,14,16)/p+1