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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyridine-3-carboxamide Formula: C19H23N7O2S MolecularWeight: 413.49662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CNC3=O)C(=N1)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CNC3=O)C(=N1)N4CCCCC4

InChI

InChI=1S/C19H23N7O2S/c1-29-19-23-15(25-9-3-2-4-10-25)14-12-22-26(16(14)24-19)11-8-21-18(28)13-6-5-7-20-17(13)27/h5-7,12H,2-4,8-11H2,1H3,(H,20,27)(H,21,28)