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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-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-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]acetamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-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-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide Formula: C23H30N6O3S2 MolecularWeight: 502.6527

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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)N4CCCC4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C23H30N6O3S2/c1-16(2)34(31,32)18-8-6-17(7-9-18)14-20(30)24-10-13-29-22-19(15-25-29)21(26-23(27-22)33-3)28-11-4-5-12-28/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,24,30)