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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinaldamide Formula: C24H27N7OS MolecularWeight: 461.58248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)C(=N1)N5CCCCC5

InChI

InChI=1S/C24H27N7OS/c1-2-33-24-28-21(30-13-6-3-7-14-30)18-16-26-31(22(18)29-24)15-12-25-23(32)20-11-10-17-8-4-5-9-19(17)27-20/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,25,32)