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

Systemtic Name: 6-chloranyl-N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C18H20ClN7O2S MolecularWeight: 433.9151

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CN=C(C=C3)Cl)C(=N1)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CN=C(C=C3)Cl)C(=N1)N4CCOCC4

InChI

InChI=1S/C18H20ClN7O2S/c1-29-18-23-15(25-6-8-28-9-7-25)13-11-22-26(16(13)24-18)5-4-20-17(27)12-2-3-14(19)21-10-12/h2-3,10-11H,4-9H2,1H3,(H,20,27)