ethyl 2-ethyl-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-ethyl-6-oxidanylidene-4-sulfanyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-ethyl-6-oxo-4-sulfanyl-1H-pyrimidine-5-carboxylate CAS Name: 2-ethyl-4-mercapto-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-6-oxo-4-sulfanyl-1H-pyrimidine-5-carboxylate Traditional Name: 2-ethyl-6-keto-4-mercapto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=O)N1)C(=O)OCC)S

Isomeric SMILES

CCC1=NC(=C(C(=O)N1)C(=O)OCC)S

InChI

InChI=1S/C9H12N2O3S/c1-3-5-10-7(12)6(8(15)11-5)9(13)14-4-2/h3-4H2,1-2H3,(H2,10,11,12,15)