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

Systemtic Name: 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 4-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C13H12ClN5O2 MolecularWeight: 305.71968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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