ethyl 4-(2-pyrimidin-2-ylsulfanylethanoylamino)butanoate

Systemtic Name: ethyl 4-(2-pyrimidin-2-ylsulfanylethanoylamino)butanoate Openeye Name: ethyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]butanoate CAS Name: 4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-(2-pyrimidylthio)acetyl]amino]butyric acid ethyl ester Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=CC=N1

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=CC=N1

InChI

InChI=1S/C12H17N3O3S/c1-2-18-11(17)5-3-6-13-10(16)9-19-12-14-7-4-8-15-12/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,16)