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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Formula: C23H26N8OS MolecularWeight: 462.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)N5CCCCC5

InChI

InChI=1S/C23H26N8OS/c1-2-33-23-28-20(30-11-6-3-7-12-30)16-14-26-31(21(16)29-23)13-10-24-22(32)19-15-25-17-8-4-5-9-18(17)27-19/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,24,32)