butyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: butyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: butyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoic acid butyl ester IUPAC Name: butyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid butyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H19N3O3S/c1-3-4-10-24-17(23)12(2)25-18-20-15(13-8-6-5-7-9-13)14(11-19)16(22)21-18/h5-9,12H,3-4,10H2,1-2H3,(H,20,21,22)