thian-4-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: thian-4-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tetrahydrothiopyran-4-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid 4-thianyl ester IUPAC Name: thian-4-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tetrahydrothiopyran-4-yl ester Formula: C23H27N5O5S2 MolecularWeight: 517.62098

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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)OC5CCSCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)OC5CCSCC5

InChI

InChI=1S/C23H27N5O5S2/c1-35(30,31)19-4-2-16(3-5-19)28-21-20(14-26-28)22(25-15-24-21)32-17-6-10-27(11-7-17)23(29)33-18-8-12-34-13-9-18/h2-5,14-15,17-18H,6-13H2,1H3