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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-mesyl-isonipecotamide Formula: C19H31N7O4S2 MolecularWeight: 485.62394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N7O4S2/c1-4-31-19-23-16(20-8-12-30-2)15-13-22-26(17(15)24-19)11-7-21-18(27)14-5-9-25(10-6-14)32(3,28)29/h13-14H,4-12H2,1-3H3,(H,21,27)(H,20,23,24)