N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-sulfamoylbenzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoylbenzamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Formula: C19H23N7O3S2 MolecularWeight: 461.56102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)N4CCCC4

InChI

InChI=1S/C19H23N7O3S2/c1-30-19-23-16(25-9-2-3-10-25)15-12-22-26(17(15)24-19)11-8-21-18(27)13-4-6-14(7-5-13)31(20,28)29/h4-7,12H,2-3,8-11H2,1H3,(H,21,27)(H2,20,28,29)