methyl 2-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)carbamoylamino]benzoate

Systemtic Name: methyl 2-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)carbamoylamino]benzoate Openeye Name: methyl 2-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)carbamoylamino]benzoate CAS Name: 2-[[oxo-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)carbamoylamino]benzoate Traditional Name: 2-[(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)carbamoylamino]benzoic acid methyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NC2=C3C=C(C=NC3=NN2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NC2=C3C=C(C=NC3=NN2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-29-20(27)15-9-5-6-10-17(15)23-21(28)24-19-16-11-14(12-22-18(16)25-26-19)13-7-3-2-4-8-13/h2-12H,1H3,(H3,22,23,24,25,26,28)