ethyl 3-(2-oxidanylidene-1H-pyrimidin-5-yl)-3-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: ethyl 3-(2-oxidanylidene-1H-pyrimidin-5-yl)-3-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: ethyl 3-(2-oxo-1H-pyrimidin-5-yl)-3-(4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(2-oxo-1H-pyrimidin-5-yl)-3-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-oxo-1H-pyrimidin-5-yl)-3-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-keto-1H-pyrimidin-5-yl)-3-(4-keto-2-thioxo-1H-pyrimidin-5-yl)propionic acid ethyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CNC(=O)N=C1)C2=CNC(=S)NC2=O

Isomeric SMILES

CCOC(=O)CC(C1=CNC(=O)N=C1)C2=CNC(=S)NC2=O

InChI

InChI=1S/C13H14N4O4S/c1-2-21-10(18)3-8(7-4-14-12(20)15-5-7)9-6-16-13(22)17-11(9)19/h4-6,8H,2-3H2,1H3,(H,14,15,20)(H2,16,17,19,22)