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

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide Formula: C22H28N6O2S2 MolecularWeight: 472.62672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCOCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCOCC5

InChI

InChI=1S/C22H28N6O2S2/c1-31-21-25-18(27-10-12-30-13-11-27)16-15-24-28(19(16)26-21)9-8-23-20(29)22(6-2-3-7-22)17-5-4-14-32-17/h4-5,14-15H,2-3,6-13H2,1H3,(H,23,29)