4-[(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: 4-[(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(1-ethyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(1-ethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Formula: C14H12N5O2- MolecularWeight: 282.27738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H13N5O2/c1-2-19-13-11(7-17-19)12(15-8-16-13)18-10-5-3-9(4-6-10)14(20)21/h3-8H,2H2,1H3,(H,20,21)(H,15,16,18)/p-1