(2S)-3-azanyl-2-(2-pyrimidin-2-ylsulfanylethanoyl)but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-(2-pyrimidin-2-ylsulfanylethanoyl)but-3-enenitrile Openeye Name: (2S)-3-amino-2-(2-pyrimidin-2-ylsulfanylacetyl)but-3-enenitrile CAS Name: (2S)-3-amino-2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-(2-pyrimidin-2-ylsulfanylacetyl)but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-(2-pyrimidylthio)acetyl]but-3-enenitrile Formula: C10H10N4OS MolecularWeight: 234.2776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NC=CC=N1)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=NC=CC=N1)N

InChI

InChI=1S/C10H10N4OS/c1-7(12)8(5-11)9(15)6-16-10-13-3-2-4-14-10/h2-4,8H,1,6,12H2/t8-/m1/s1