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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonipecotamide Formula: C19H29N7O3S2 MolecularWeight: 467.60866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)C(=N1)N4CCCC4

InChI

InChI=1S/C19H29N7O3S2/c1-30-19-22-16(24-8-3-4-9-24)15-13-21-26(17(15)23-19)12-7-20-18(27)14-5-10-25(11-6-14)31(2,28)29/h13-14H,3-12H2,1-2H3,(H,20,27)