4-[(1-phenanthren-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid

Systemtic Name: 4-[(1-phenanthren-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Openeye Name: 4-[[1-(4-phenanthryl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid CAS Name: 4-[[1-(4-phenanthrenyl)-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(1-phenanthren-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Traditional Name: 4-[[1-(4-phenanthryl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid Formula: C26H17N5O2 MolecularWeight: 431.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)N4C5=NC(=NC=C5C=N4)NC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)N4C5=NC(=NC=C5C=N4)NC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C26H17N5O2/c32-25(33)18-10-12-20(13-11-18)29-26-27-14-19-15-28-31(24(19)30-26)22-7-3-5-17-9-8-16-4-1-2-6-21(16)23(17)22/h1-15H,(H,32,33)(H,27,29,30)