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

Systemtic Name: pentan-3-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: 1-ethylpropyl 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 pentan-3-yl ester IUPAC Name: pentan-3-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 1-ethylpropyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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