2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]benzoic acid IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]benzoic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C13H10N4O2S/c1-17-11-9(6-16-17)12(15-7-14-11)20-10-5-3-2-4-8(10)13(18)19/h2-7H,1H3,(H,18,19)