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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanenitrile Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetonitrile CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC#N

InChI

InChI=1S/C13H9N5S/c14-6-7-19-13-11-8-17-18(12(11)15-9-16-13)10-4-2-1-3-5-10/h1-5,8-9H,7H2