ethyl 2-chloranyl-4-(hydroxymethyl)-6-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-(hydroxymethyl)-6-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-chloro-4-(hydroxymethyl)-6-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 2-chloro-4-(hydroxymethyl)-6-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-(hydroxymethyl)-6-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 2-chloro-4-methylol-6-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16ClN3O3S MolecularWeight: 317.79174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1N2CCSCC2)Cl)CO

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1N2CCSCC2)Cl)CO

InChI

InChI=1S/C12H16ClN3O3S/c1-2-19-11(18)9-8(7-17)14-12(13)15-10(9)16-3-5-20-6-4-16/h17H,2-7H2,1H3