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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piazthiole-5-carboxamide Formula: C20H22N8OS2 MolecularWeight: 454.57168

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=NSN=C4C=C3)C(=N1)N5CCCC5

InChI

InChI=1S/C20H22N8OS2/c1-2-30-20-23-17(27-8-3-4-9-27)14-12-22-28(18(14)24-20)10-7-21-19(29)13-5-6-15-16(11-13)26-31-25-15/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,29)