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

Systemtic Name: 4-acetamido-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 4-acetamido-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 4-acetamido-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-acetamido-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 4-acetamido-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)NC(=O)C)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)NC(=O)C)C(=N1)N4CCCC4

InChI

InChI=1S/C22H27N7O2S/c1-3-32-22-26-19(28-11-4-5-12-28)18-14-24-29(20(18)27-22)13-10-23-21(31)16-6-8-17(9-7-16)25-15(2)30/h6-9,14H,3-5,10-13H2,1-2H3,(H,23,31)(H,25,30)