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

Systemtic Name: tert-butyl 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[3-methyl-1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[1-(4-mesylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C2=C1C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H29N5O5S/c1-15-19-20(28(26-15)16-6-8-18(9-7-16)34(5,30)31)24-14-25-21(19)32-17-10-12-27(13-11-17)22(29)33-23(2,3)4/h6-9,14,17H,10-13H2,1-5H3