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

Systemtic Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Formula: C13H10N5O2- MolecularWeight: 268.2508

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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)/p-1