[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CN=C2C(=C1)C=NN2C(C)C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CN=C2C(=C1)C=NN2C(C)C

InChI

InChI=1S/C16H21N5O4/c1-8(2)12(14(22)20-16(17)24)25-15(23)11-5-10-7-19-21(9(3)4)13(10)18-6-11/h5-9,12H,1-4H3,(H3,17,20,22,24)