[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C21H22N8O3 MolecularWeight: 434.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OC(C)C(=O)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5CC5

InChI

InChI=1S/C21H22N8O3/c1-10(2)29-19-14(7-26-29)13(6-15(27-19)12-4-5-12)21(31)32-11(3)20(30)28-18-16-17(23-8-22-16)24-9-25-18/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25,28,30)/t11-/m1/s1