2-(1-azanylethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-ylcarbamoyl)benzoate

Systemtic Name: 2-(1-azanylethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-ylcarbamoyl)benzoate Openeye Name: 2-(1-aminoethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-ylcarbamoyl)benzoate CAS Name: 2-(1-aminoethyl)-5-[oxo-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)methyl]benzoate IUPAC Name: 2-(1-aminoethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-ylcarbamoyl)benzoate Traditional Name: 2-(1-aminoethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-ylcarbamoyl)benzoate Formula: C16H14N5O3- MolecularWeight: 324.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=NNC3=NC=C2)C(=O)[O-])N

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=NNC3=NC=C2)C(=O)[O-])N

InChI

InChI=1S/C16H15N5O3/c1-8(17)10-3-2-9(6-11(10)16(23)24)15(22)20-13-4-5-18-14-12(13)7-19-21-14/h2-8H,17H2,1H3,(H,23,24)(H2,18,19,20,21,22)/p-1