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

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

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCC(=O)O

InChI

InChI=1S/C14H12N4O2S/c19-12(20)6-7-21-14-11-8-17-18(13(11)15-9-16-14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)