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

Systemtic Name: 2-ethylbutyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: 2-ethylbutyl 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 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 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 2-ethylbutyl ester Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC(CC)COC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H31N5O5S/c1-4-17(5-2)15-33-24(30)28-12-10-19(11-13-28)34-23-21-14-27-29(22(21)25-16-26-23)18-6-8-20(9-7-18)35(3,31)32/h6-9,14,16-17,19H,4-5,10-13,15H2,1-3H3