[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-propan-2-yl-4-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] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O4/c1-12(2)18(20(28)26-22(23)30)31-21(29)15-10-17(14-8-6-5-7-9-14)25-19-16(15)11-24-27(19)13(3)4/h5-13,18H,1-4H3,(H3,23,26,28,30)