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

Systemtic Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid Openeye Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionic acid Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S/c1-13-8-6(4-12-13)9(11-5-10-8)16-3-2-7(14)15/h4-5H,2-3H2,1H3,(H,14,15)