N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C23H26N8OS MolecularWeight: 462.57054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCCC5

InChI

InChI=1S/C23H26N8OS/c1-33-23-26-20(30-11-6-3-7-12-30)17-15-25-31(21(17)27-23)13-10-24-22(32)19-14-18(28-29-19)16-8-4-2-5-9-16/h2,4-5,8-9,14-15H,3,6-7,10-13H2,1H3,(H,24,32)(H,28,29)