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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(methylthio)nicotinamide Formula: C21H27N7OS2 MolecularWeight: 457.61538

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)SC)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H27N7OS2/c1-3-31-21-25-17(27-11-5-4-6-12-27)16-14-24-28(18(16)26-21)13-10-22-19(29)15-8-7-9-23-20(15)30-2/h7-9,14H,3-6,10-13H2,1-2H3,(H,22,29)