2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxidanylidene-pyrazolo[3,4-d]pyrimidin-2-yl]ethanoate

Systemtic Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxidanylidene-pyrazolo[3,4-d]pyrimidin-2-yl]ethanoate Openeye Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxo-pyrazolo[3,4-d]pyrimidin-2-yl]acetate CAS Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxo-2-pyrazolo[3,4-d]pyrimidinyl]acetate IUPAC Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxopyrazolo[3,4-d]pyrimidin-2-yl]acetate Traditional Name: 2-(6-cyano-3-keto-1-neopentyl-pyrazolo[3,4-d]pyrimidin-2-yl)acetate Formula: C13H14N5O3- MolecularWeight: 288.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC(=O)[O-])C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC(=O)[O-])C#N

InChI

InChI=1S/C13H15N5O3/c1-13(2,3)7-18-11-8(5-15-9(4-14)16-11)12(21)17(18)6-10(19)20/h5H,6-7H2,1-3H3,(H,19,20)/p-1