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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonicotinamide Formula: C19H23N7OS MolecularWeight: 397.49722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7OS/c1-28-19-23-16(25-10-3-2-4-11-25)15-13-22-26(17(15)24-19)12-9-21-18(27)14-5-7-20-8-6-14/h5-8,13H,2-4,9-12H2,1H3,(H,21,27)