3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H15N5O2/c1-12-21-17(23-14-7-5-6-13(10-14)19(25)26)16-11-20-24(18(16)22-12)15-8-3-2-4-9-15/h2-11H,1H3,(H,25,26)(H,21,22,23)