(E)-3-azanyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]but-2-enenitrile Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C13H16N4O2S/c1-3-4-9-5-12(19)17-13(16-9)20-7-11(18)10(6-14)8(2)15/h5H,3-4,7,15H2,1-2H3,(H,16,17,19)/b10-8+