2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile

Systemtic Name: 2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanenitrile Openeye Name: 2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile CAS Name: 2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Traditional Name: 2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile Formula: C11H13N5O MolecularWeight: 231.25382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC#N

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC#N

InChI

InChI=1S/C11H13N5O/c1-11(2,3)16-9-8(6-14-16)10(17)15(5-4-12)7-13-9/h6-7H,5H2,1-3H3