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

Systemtic Name: 3-[[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Formula: C19H14N5O2- MolecularWeight: 344.34676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C19H15N5O2/c25-19(26)14-7-4-8-15(9-14)23-17-16-10-22-24(18(16)21-12-20-17)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,25,26)(H,20,21,23)/p-1