3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid IUPAC Name: 3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[3-(3-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=C3C(=NN2)N=CN=C3NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=C3C(=NN2)N=CN=C3NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H14N6O2/c19-12-5-1-3-10(7-12)15-14-16(20-9-21-17(14)24-23-15)22-13-6-2-4-11(8-13)18(25)26/h1-9H,19H2,(H,25,26)(H2,20,21,22,23,24)