(E)-3-azanyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]but-2-enenitrile Formula: C17H14N6OS MolecularWeight: 350.39766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)/N

InChI

InChI=1S/C17H14N6OS/c1-11(19)13(7-18)15(24)9-25-17-14-8-22-23(16(14)20-10-21-17)12-5-3-2-4-6-12/h2-6,8,10H,9,19H2,1H3/b13-11+