3-[[4-(3-azanyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]carbamoylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[4-(3-azanyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]carbamoylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]carbamoylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)anilino]-oxomethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]carbamoylamino]-4-methoxybenzoic acid Traditional Name: 3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]carbamoylamino]-4-methoxy-benzoic acid Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)C3=CC=NC4=NNC(=C34)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)C3=CC=NC4=NNC(=C34)N

InChI

InChI=1S/C21H18N6O4/c1-31-16-7-4-12(20(28)29)10-15(16)25-21(30)24-13-5-2-11(3-6-13)14-8-9-23-19-17(14)18(22)26-27-19/h2-10H,1H3,(H,28,29)(H2,24,25,30)(H3,22,23,26,27)