[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-27-19-21-12-14(20)15(22-19)18(25)26-16(13-8-4-2-5-9-13)17(24)23-10-6-3-7-11-23/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3/t16-/m1/s1