5-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 5-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 5-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide CAS Name: 5-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 5-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 5-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyrrolidine-2-carboxamide Formula: C17H16N6O2S MolecularWeight: 368.41294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(=O)NC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H16N6O2S/c24-14-5-4-13(22-14)16(25)21-11-3-1-2-10(6-11)8-26-17-12-7-20-23-15(12)18-9-19-17/h1-3,6-7,9,13H,4-5,8H2,(H,21,25)(H,22,24)(H,18,19,20,23)