[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CN=C2C(=C1)C=NN2CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CN=C2C(=C1)C=NN2CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c1-14(19(26)24-21(2,3)4)28-20(27)17-10-16-12-23-25(18(16)22-11-17)13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3,(H,24,26)