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

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide Formula: C24H32N6O3S2 MolecularWeight: 516.67928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C24H32N6O3S2/c1-17(2)35(32,33)19-9-7-18(8-10-19)15-21(31)25-11-14-30-23-20(16-26-30)22(27-24(28-23)34-3)29-12-5-4-6-13-29/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,25,31)