(E)-3-azanyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)but-2-enenitrile Openeye Name: (E)-3-amino-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]but-2-enenitrile Formula: C12H10N4OS2 MolecularWeight: 290.364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=NC2=C1C=CS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=NC2=C1C=CS2)/N

InChI

InChI=1S/C12H10N4OS2/c1-7(14)9(4-13)10(17)5-19-12-8-2-3-18-11(8)15-6-16-12/h2-3,6H,5,14H2,1H3/b9-7+