N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-isopropylsulfonylphenyl)acetamide Formula: C25H34N6O3S2 MolecularWeight: 530.70586

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)C(=N1)N4CCCCC4

InChI

InChI=1S/C25H34N6O3S2/c1-4-35-25-28-23(30-13-6-5-7-14-30)21-17-27-31(24(21)29-25)15-12-26-22(32)16-19-8-10-20(11-9-19)36(33,34)18(2)3/h8-11,17-18H,4-7,12-16H2,1-3H3,(H,26,32)