ethyl 6-hex-1-ynyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-hex-1-ynyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: ethyl 6-hex-1-ynyl-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-hex-1-ynyl-2-(methylthio)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hex-1-ynyl-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-hex-1-ynyl-2-(methylthio)pyrimidine-4-carboxylic acid ethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=NC(=N1)SC)C(=O)OCC

Isomeric SMILES

CCCCC#CC1=CC(=NC(=N1)SC)C(=O)OCC

InChI

InChI=1S/C14H18N2O2S/c1-4-6-7-8-9-11-10-12(13(17)18-5-2)16-14(15-11)19-3/h10H,4-7H2,1-3H3