[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O5/c1-12(2)25-20-14(10-22-25)8-16(13(3)23-20)21(27)30-11-19(26)24-15-4-5-17-18(9-15)29-7-6-28-17/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,26)