1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxy-pyrazolo[3,4-d]pyrimidine hydrochloride

Systemtic Name: 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxy-pyrazolo[3,4-d]pyrimidine hydrochloride Openeye Name: 1-(4-methylsulfonylphenyl)-4-(4-piperidyloxy)pyrazolo[3,4-d]pyrimidine hydrochloride CAS Name: 1-(4-methylsulfonylphenyl)-4-(4-piperidinyloxy)pyrazolo[3,4-d]pyrimidine hydrochloride IUPAC Name: 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[3,4-d]pyrimidine hydrochloride Traditional Name: 1-(4-mesylphenyl)-4-(4-piperidyloxy)pyrazolo[3,4-d]pyrimidine hydrochloride Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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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)OC4CCNCC4.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCNCC4.Cl

InChI

InChI=1S/C17H19N5O3S.ClH/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13;/h2-5,10-11,13,18H,6-9H2,1H3;1H