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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-mesyl-isonipecotamide Formula: C19H31N7O3S2 MolecularWeight: 469.62454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)SC

InChI

InChI=1S/C19H31N7O3S2/c1-13(2)11-21-16-15-12-22-26(17(15)24-19(23-16)30-3)10-7-20-18(27)14-5-8-25(9-6-14)31(4,28)29/h12-14H,5-11H2,1-4H3,(H,20,27)(H,21,23,24)