N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[4-[(1-cycloheptyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]phenyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-N-mesyl-methanesulfonamide Formula: C20H26N6O4S2 MolecularWeight: 478.58824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=CC=C(C=C1)NC2=NC=C3C=NN(C3=N2)C4CCCCCC4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N(C1=CC=C(C=C1)NC2=NC=C3C=NN(C3=N2)C4CCCCCC4)S(=O)(=O)C

InChI

InChI=1S/C20H26N6O4S2/c1-31(27,28)26(32(2,29)30)18-11-9-16(10-12-18)23-20-21-13-15-14-22-25(19(15)24-20)17-7-5-3-4-6-8-17/h9-14,17H,3-8H2,1-2H3,(H,21,23,24)