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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide Formula: C22H30N6O2S2 MolecularWeight: 474.6426

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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S2/c1-3-31-21-26-18(23-11-13-30-2)16-15-25-28(19(16)27-21)12-10-24-20(29)22(8-4-5-9-22)17-7-6-14-32-17/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,24,29)(H,23,26,27)