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

Systemtic Name: 4-[1-(5-bromanylpyridin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[[1-(5-bromo-2-pyridyl)-4-piperidyl]oxy]-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[1-(5-bromo-2-pyridinyl)-4-piperidinyl]oxy]-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[1-(5-bromopyridin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[1-(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)OC4CCN(CC4)C5=NC=C(C=C5)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C5=NC=C(C=C5)Br

InChI

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