2-[1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]ethanoate

Systemtic Name: 2-[1-[(2S)-butan-2-yl]-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]ethanoate Openeye Name: 2-[4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-5-yl]acetate CAS Name: 2-[1-[(2S)-butan-2-yl]-4,6-dimethyl-5-pyrazolo[3,4-b]pyridinyl]acetate IUPAC Name: 2-[1-[(2S)-butan-2-yl]-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl]acetate Traditional Name: 2-[4,6-dimethyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]pyridin-5-yl]acetate Formula: C14H18N3O2- MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=NC(=C(C(=C2C=N1)C)CC(=O)[O-])C

Isomeric SMILES

CC[C@H](C)N1C2=NC(=C(C(=C2C=N1)C)CC(=O)[O-])C

InChI

InChI=1S/C14H19N3O2/c1-5-8(2)17-14-12(7-15-17)9(3)11(6-13(18)19)10(4)16-14/h7-8H,5-6H2,1-4H3,(H,18,19)/p-1/t8-/m0/s1