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

Systemtic Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]carbonylpyran-4-one Openeye Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]pyran-4-one CAS Name: 2-[[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-oxomethyl]-4-pyranone IUPAC Name: 2-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]pyran-4-one Traditional Name: 2-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbonyl]pyran-4-one Formula: C23H21N5O6S MolecularWeight: 495.50774

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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(=O)C=CO5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CC(=O)C=CO5

InChI

InChI=1S/C23H21N5O6S/c1-35(31,32)18-4-2-15(3-5-18)28-21-19(13-26-28)22(25-14-24-21)34-17-6-9-27(10-7-17)23(30)20-12-16(29)8-11-33-20/h2-5,8,11-14,17H,6-7,9-10H2,1H3