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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxo-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1-methyl-nicotinamide Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O2S/c1-3-31-21-24-17(27-11-5-4-6-12-27)16-14-23-28(18(16)25-21)13-9-22-19(29)15-8-7-10-26(2)20(15)30/h7-8,10,14H,3-6,9,11-13H2,1-2H3,(H,22,29)