4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylcarbamoylamino]benzoic acid

Systemtic Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylcarbamoylamino]benzoic acid Openeye Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]benzoic acid CAS Name: 4-[[[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]benzoic acid Traditional Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]benzoic acid Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15N5O4/c1-9-13-7-11(8-18-14(13)22(2)21-9)15(23)20-17(26)19-12-5-3-10(4-6-12)16(24)25/h3-8H,1-2H3,(H,24,25)(H2,19,20,23,26)