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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)O

InChI

InChI=1S/C8H8N4O2S/c1-12-7-5(2-11-12)8(10-4-9-7)15-3-6(13)14/h2,4H,3H2,1H3,(H,13,14)