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

Systemtic Name: 1-ethanoyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyrrolidine-2-carboxamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H20N6O2S/c1-12(26)25-7-3-6-16(25)18(27)23-14-5-2-4-13(8-14)10-28-19-15-9-22-24-17(15)20-11-21-19/h2,4-5,8-9,11,16H,3,6-7,10H2,1H3,(H,23,27)(H,20,21,22,24)