ethyl 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCC(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCC(=O)OCC

InChI

InChI=1S/C12H18N2O3S/c1-3-5-9-8-10(15)14-12(13-9)18-7-6-11(16)17-4-2/h8H,3-7H2,1-2H3,(H,13,14,15)