4-[2-(5-bromanylpyridin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(5-bromanylpyridin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[[2-(5-bromo-2-pyridyl)-4-piperidyl]oxy]-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[2-(5-bromo-2-pyridinyl)-4-piperidinyl]oxy]-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(5-bromopyridin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[2-(5-bromo-2-pyridyl)-4-piperidyl]oxy]-1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidine Formula: C22H21BrN6O3S MolecularWeight: 529.40954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCNC(C4)C5=NC=C(C=C5)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCNC(C4)C5=NC=C(C=C5)Br

InChI

InChI=1S/C22H21BrN6O3S/c1-33(30,31)17-5-3-15(4-6-17)29-21-18(12-28-29)22(27-13-26-21)32-16-8-9-24-20(10-16)19-7-2-14(23)11-25-19/h2-7,11-13,16,20,24H,8-10H2,1H3