(E)-3-azanyl-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]but-2-enenitrile Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C13H16N4OS/c1-7-9(3)16-13(17-10(7)4)19-6-12(18)11(5-14)8(2)15/h6,15H2,1-4H3/b11-8+