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

Systemtic Name: 4-[(1-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Openeye Name: 4-[[1-(1-naphthyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid CAS Name: 4-[[1-(1-naphthalenyl)-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(1-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Traditional Name: 4-[[1-(1-naphthyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzoic acid Formula: C22H15N5O2 MolecularWeight: 381.3868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C4=NC(=NC=C4C=N3)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C4=NC(=NC=C4C=N3)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C22H15N5O2/c28-21(29)15-8-10-17(11-9-15)25-22-23-12-16-13-24-27(20(16)26-22)19-7-3-5-14-4-1-2-6-18(14)19/h1-13H,(H,28,29)(H,23,25,26)