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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Formula: C22H24N8OS MolecularWeight: 448.54396

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCCC5

InChI

InChI=1S/C22H24N8OS/c1-32-22-27-19(29-10-5-2-6-11-29)15-13-25-30(20(15)28-22)12-9-23-21(31)18-14-24-16-7-3-4-8-17(16)26-18/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,23,31)