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

Systemtic Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C13H11N5O2/c1-18-12-10(6-16-18)11(14-7-15-12)17-9-4-2-3-8(5-9)13(19)20/h2-7H,1H3,(H,19,20)(H,14,15,17)