4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate

Systemtic Name: 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate Openeye Name: 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate CAS Name: 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate IUPAC Name: 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate Traditional Name: 4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)benzoate Formula: C12H8N5O2- MolecularWeight: 254.22422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC=NC3=C2C=NN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C12H9N5O2/c18-12(19)7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H,18,19)(H2,13,14,15,16,17)/p-1