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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide Formula: C23H30N6OS2 MolecularWeight: 470.6539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)N5CCCC5

InChI

InChI=1S/C23H30N6OS2/c1-2-31-22-26-19(28-12-5-6-13-28)17-16-25-29(20(17)27-22)14-11-24-21(30)23(9-3-4-10-23)18-8-7-15-32-18/h7-8,15-16H,2-6,9-14H2,1H3,(H,24,30)