N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C23H26N8OS MolecularWeight: 462.57054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)N5CCCC5

InChI

InChI=1S/C23H26N8OS/c1-2-33-23-26-20(30-11-6-7-12-30)17-15-25-31(21(17)27-23)13-10-24-22(32)19-14-18(28-29-19)16-8-4-3-5-9-16/h3-5,8-9,14-15H,2,6-7,10-13H2,1H3,(H,24,32)(H,28,29)