N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C19H23N7O2S2 MolecularWeight: 445.56162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCOCC4

InChI

InChI=1S/C19H23N7O2S2/c1-29-19-23-17(25-8-10-28-11-9-25)15-12-22-26(18(15)24-19)7-6-21-16(27)13-30-14-2-4-20-5-3-14/h2-5,12H,6-11,13H2,1H3,(H,21,27)