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

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

Click to see the large picture

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)