2-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[1-(2-hydroxyethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetonitrile CAS Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile IUPAC Name: 2-[[1-(2-hydroxyethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetonitrile Traditional Name: 2-[[1-(2-hydroxyethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=NC2=O)SCC#N)N(N1)CCO

Isomeric SMILES

C1=C2C(=NC(=NC2=O)SCC#N)N(N1)CCO

InChI

InChI=1S/C9H9N5O2S/c10-1-4-17-9-12-7-6(8(16)13-9)5-11-14(7)2-3-15/h5,11,15H,2-4H2