N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C16H14N6OS2 MolecularWeight: 370.45196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C16H14N6OS2/c1-22-15-11(8-20-22)16(19-10-18-15)25-9-14(23)21-12-4-2-3-5-13(12)24-7-6-17/h2-5,8,10H,7,9H2,1H3,(H,21,23)