[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]-(2-thienyl)methanone CAS Name: [4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]-(2-thienyl)methanone Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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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)C(=O)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N5O4S2/c1-33(29,30)17-6-4-15(5-7-17)27-20-18(13-25-27)21(24-14-23-20)31-16-8-10-26(11-9-16)22(28)19-3-2-12-32-19/h2-7,12-14,16H,8-11H2,1H3