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

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-sulfamoylbenzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoylbenzamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Formula: C19H23N7O4S2 MolecularWeight: 477.56042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O4S2/c1-31-19-23-16(25-8-10-30-11-9-25)15-12-22-26(17(15)24-19)7-6-21-18(27)13-2-4-14(5-3-13)32(20,28)29/h2-5,12H,6-11H2,1H3,(H,21,27)(H2,20,28,29)