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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piazthiole-5-carboxamide Formula: C19H20N8OS2 MolecularWeight: 440.5451

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCC5

InChI

InChI=1S/C19H20N8OS2/c1-29-19-22-16(26-7-2-3-8-26)13-11-21-27(17(13)23-19)9-6-20-18(28)12-4-5-14-15(10-12)25-30-24-14/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,28)