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

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazinamide Formula: C17H20N8O2S MolecularWeight: 400.4581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N8O2S/c1-28-17-22-14(24-6-8-27-9-7-24)12-10-21-25(15(12)23-17)5-4-20-16(26)13-11-18-2-3-19-13/h2-3,10-11H,4-9H2,1H3,(H,20,26)