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

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-4-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-4-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonicotinamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=NC=C3)C(=N1)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=NC=C3)C(=N1)N4CCOCC4

InChI

InChI=1S/C18H21N7O2S/c1-28-18-22-15(24-8-10-27-11-9-24)14-12-21-25(16(14)23-18)7-6-20-17(26)13-2-4-19-5-3-13/h2-5,12H,6-11H2,1H3,(H,20,26)