N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-methoxy-coumarilamide Formula: C23H26N6O3S MolecularWeight: 466.55594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(O3)C(=CC=C4)OC)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=C(O3)C(=CC=C4)OC)C(=N1)N5CCCC5

InChI

InChI=1S/C23H26N6O3S/c1-3-33-23-26-20(28-10-4-5-11-28)16-14-25-29(21(16)27-23)12-9-24-22(30)18-13-15-7-6-8-17(31-2)19(15)32-18/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,24,30)