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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-mesyl-isonipecotamide Formula: C21H33N7O3S2 MolecularWeight: 495.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H33N7O3S2/c1-3-32-21-24-18(26-10-5-4-6-11-26)17-15-23-28(19(17)25-21)14-9-22-20(29)16-7-12-27(13-8-16)33(2,30)31/h15-16H,3-14H2,1-2H3,(H,22,29)