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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide Formula: C22H28N6OS2 MolecularWeight: 456.62732

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCCC5

InChI

InChI=1S/C22H28N6OS2/c1-30-21-25-18(27-11-4-5-12-27)16-15-24-28(19(16)26-21)13-10-23-20(29)22(8-2-3-9-22)17-7-6-14-31-17/h6-7,14-15H,2-5,8-13H2,1H3,(H,23,29)