5-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidine-4-carboxylic acid Formula: C11H12ClN3O4S MolecularWeight: 317.74868

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C11H12ClN3O4S/c12-7-5-13-11(14-9(7)10(17)18)20-6-8(16)15-1-3-19-4-2-15/h5H,1-4,6H2,(H,17,18)