2-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4,6-bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4,6-bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile Formula: C9H9N5S2 MolecularWeight: 251.33126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=NNC(=C21)CC#N)SC

Isomeric SMILES

CSC1=NC(=NC2=NNC(=C21)CC#N)SC

InChI

InChI=1S/C9H9N5S2/c1-15-8-6-5(3-4-10)13-14-7(6)11-9(12-8)16-2/h3H2,1-2H3,(H,11,12,13,14)