N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-mesyl-isonipecotamide Formula: C20H31N7O4S2 MolecularWeight: 497.63464

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCOCC4

InChI

InChI=1S/C20H31N7O4S2/c1-3-32-20-23-17(25-10-12-31-13-11-25)16-14-22-27(18(16)24-20)9-6-21-19(28)15-4-7-26(8-5-15)33(2,29)30/h14-15H,3-13H2,1-2H3,(H,21,28)