propan-2-yl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methylsulfonylphenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-mesylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O5S/c1-14(2)30-21(27)25-10-8-15(9-11-25)26-19-18(12-24-26)20(23-13-22-19)31-16-4-6-17(7-5-16)32(3,28)29/h4-7,12-15H,8-11H2,1-3H3