4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-N-pyridin-4-yl-piperidine-1-carbothioamide

Systemtic Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-N-pyridin-4-yl-piperidine-1-carbothioamide Openeye Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-N-(4-pyridyl)piperidine-1-carbothioamide CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-N-pyridin-4-yl-1-piperidinecarbothioamide IUPAC Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-N-pyridin-4-ylpiperidine-1-carbothioamide Traditional Name: 4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-N-(4-pyridyl)piperidine-1-carbothioamide Formula: C23H23N7O3S2 MolecularWeight: 509.60382

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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)OC4CCN(CC4)C(=S)NC5=CC=NC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=S)NC5=CC=NC=C5

InChI

InChI=1S/C23H23N7O3S2/c1-35(31,32)19-4-2-17(3-5-19)30-21-20(14-27-30)22(26-15-25-21)33-18-8-12-29(13-9-18)23(34)28-16-6-10-24-11-7-16/h2-7,10-11,14-15,18H,8-9,12-13H2,1H3,(H,24,28,34)