[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H26N4O3/c1-12-17-6-16(10-22-19(17)25(2)24-12)20(27)28-11-18(26)23-21-7-13-3-14(8-21)5-15(4-13)9-21/h6,10,13-15H,3-5,7-9,11H2,1-2H3,(H,23,26)