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

Systemtic Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Formula: C18H12N5O2- MolecularWeight: 330.32018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C18H13N5O2/c24-18(25)12-5-4-6-13(9-12)22-16-15-10-21-23(17(15)20-11-19-16)14-7-2-1-3-8-14/h1-11H,(H,24,25)(H,19,20,22)/p-1