N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piazthiole-5-carboxamide Formula: C21H24N8OS2 MolecularWeight: 468.59826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCCC5

InChI

InChI=1S/C21H24N8OS2/c1-2-31-21-24-18(28-9-4-3-5-10-28)15-13-23-29(19(15)25-21)11-8-22-20(30)14-6-7-16-17(12-14)27-32-26-16/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,30)