4-cyano-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-cyano-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 4-cyano-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-cyano-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)C#N)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)C#N)C(=N1)N4CCCC4

InChI

InChI=1S/C20H21N7OS/c1-29-20-24-17(26-9-2-3-10-26)16-13-23-27(18(16)25-20)11-8-22-19(28)15-6-4-14(12-21)5-7-15/h4-7,13H,2-3,8-11H2,1H3,(H,22,28)