ethyl 2,5-dimethyl-6-phenylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-6-phenylsulfanyl-pyrimidine-4-carboxylate Openeye Name: ethyl 2,5-dimethyl-6-phenylsulfanyl-pyrimidine-4-carboxylate CAS Name: 2,5-dimethyl-6-(phenylthio)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-6-phenylsulfanylpyrimidine-4-carboxylate Traditional Name: 2,5-dimethyl-6-(phenylthio)pyrimidine-4-carboxylic acid ethyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=CC=CC=C2)C

InChI

InChI=1S/C15H16N2O2S/c1-4-19-15(18)13-10(2)14(17-11(3)16-13)20-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3