1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate

Systemtic Name: 1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-3-olate Openeye Name: 4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-3-olate CAS Name: 1-[(2S)-butan-2-yl]-4,6-dimethyl-3-pyrazolo[3,4-b]pyridinolate IUPAC Name: 1-[(2S)-butan-2-yl]-4,6-dimethylpyrazolo[3,4-b]pyridin-3-olate Traditional Name: 4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-3-olate Formula: C12H16N3O- MolecularWeight: 218.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C(=CC(=N2)C)C)C(=N1)[O-]

Isomeric SMILES

CC[C@H](C)N1C2=C(C(=CC(=N2)C)C)C(=N1)[O-]

InChI

InChI=1S/C12H17N3O/c1-5-9(4)15-11-10(12(16)14-15)7(2)6-8(3)13-11/h6,9H,5H2,1-4H3,(H,14,16)/p-1/t9-/m0/s1