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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinaldamide Formula: C23H25N7OS MolecularWeight: 447.5559

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)C(=N1)N5CCCCC5

InChI

InChI=1S/C23H25N7OS/c1-32-23-27-20(29-12-5-2-6-13-29)17-15-25-30(21(17)28-23)14-11-24-22(31)19-10-9-16-7-3-4-8-18(16)26-19/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,31)