[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-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] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H18N8O3 MolecularWeight: 394.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

InChI

InChI=1S/C18H18N8O3/c1-9(2)26-16-11(6-24-26)4-12(5-19-16)18(28)29-10(3)17(27)25-15-13-14(21-7-20-13)22-8-23-15/h4-10H,1-3H3,(H2,20,21,22,23,25,27)/t10-/m1/s1