ethyl 4-(2-pyrimidin-2-ylsulfanylethanoyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-pyrimidin-2-ylsulfanylethanoyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-pyrimidin-2-ylsulfanylacetyl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-pyrimidin-2-ylsulfanylacetyl)piperazine-1-carboxylate Traditional Name: 4-[2-(2-pyrimidylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C13H18N4O3S/c1-2-20-13(19)17-8-6-16(7-9-17)11(18)10-21-12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3