1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-piperidin-4-ylsulfanyl-pyrazolo[3,4-d]pyrimidine hydrochloride

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-piperidin-4-ylsulfanyl-pyrazolo[3,4-d]pyrimidine hydrochloride Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)-4-(4-piperidylsulfanyl)pyrazolo[3,4-d]pyrimidine hydrochloride CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-(4-piperidinylthio)pyrazolo[3,4-d]pyrimidine hydrochloride IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-ylsulfanylpyrazolo[3,4-d]pyrimidine hydrochloride Traditional Name: 1-(2-fluoro-4-mesyl-phenyl)-4-(4-piperidylthio)pyrazolo[3,4-d]pyrimidine hydrochloride Formula: C17H19ClFN5O2S2 MolecularWeight: 443.946463

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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)SC4CCNCC4)F.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SC4CCNCC4)F.Cl

InChI

InChI=1S/C17H18FN5O2S2.ClH/c1-27(24,25)12-2-3-15(14(18)8-12)23-16-13(9-22-23)17(21-10-20-16)26-11-4-6-19-7-5-11;/h2-3,8-11,19H,4-7H2,1H3;1H