4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid

Systemtic Name: 4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid Openeye Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid CAS Name: 4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)benzoic acid IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid Traditional Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C3=C(C=N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C3=C(C=N2)C(=NC=N3)N

InChI

InChI=1S/C12H9N5O2/c13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-7(2-4-8)12(18)19/h1-6H,(H,18,19)(H2,13,14,15)