N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C21H27N7OS2 MolecularWeight: 457.61538

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H27N7OS2/c1-2-30-21-25-19(27-11-4-3-5-12-27)17-14-24-28(20(17)26-21)13-10-23-18(29)15-31-16-6-8-22-9-7-16/h6-9,14H,2-5,10-13,15H2,1H3,(H,23,29)