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

Systemtic Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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