5-bromanyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 5-bromo-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 5-bromo-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 5-bromo-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid Formula: C13H10BrN5O2 MolecularWeight: 348.1548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN5O2/c1-19-12-9(5-17-19)11(15-6-16-12)18-10-3-2-7(14)4-8(10)13(20)21/h2-6H,1H3,(H,20,21)(H,15,16,18)