2-[6-(phenylmethylsulfanyl)-4-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[6-(phenylmethylsulfanyl)-4-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[6-benzylsulfanyl-4-(1-piperidyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[6-(phenylmethylthio)-4-(1-piperidinyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-(6-benzylsulfanyl-4-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[6-(benzylthio)-4-piperidino-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile Formula: C19H20N6S MolecularWeight: 364.4673

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6S/c20-10-9-15-16-17(24-23-15)21-19(26-13-14-7-3-1-4-8-14)22-18(16)25-11-5-2-6-12-25/h1,3-4,7-8H,2,5-6,9,11-13H2,(H,21,22,23,24)