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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonipecotamide Formula: C18H29N7O4S2 MolecularWeight: 471.59736

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCN(CC3)S(=O)(=O)C)SC

InChI

InChI=1S/C18H29N7O4S2/c1-29-11-7-19-15-14-12-21-25(16(14)23-18(22-15)30-2)10-6-20-17(26)13-4-8-24(9-5-13)31(3,27)28/h12-13H,4-11H2,1-3H3,(H,20,26)(H,19,22,23)