2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoic acid Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-9(14(19)20)21-13-11-7-17-18(12(11)15-8-16-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)