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

Systemtic Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]-1-(2-thienyl)ethanone Formula: C23H23N5O4S2 MolecularWeight: 497.58982

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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)CC(=O)C5=CC=CS5

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4S2/c1-34(30,31)18-6-4-16(5-7-18)28-22-19(13-26-28)23(25-15-24-22)32-17-8-10-27(11-9-17)14-20(29)21-3-2-12-33-21/h2-7,12-13,15,17H,8-11,14H2,1H3