pentyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: pentyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: pentyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid amyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-3-5-6-7-20-12(18)9-21-14-16-11(4-2)10(8-15)13(19)17-14/h3-7,9H2,1-2H3,(H,16,17,19)