5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(diethylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C11H14ClN3O3S MolecularWeight: 303.76516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC=C(C(=N1)C(=O)O)Cl

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC=C(C(=N1)C(=O)O)Cl

InChI

InChI=1S/C11H14ClN3O3S/c1-3-15(4-2)8(16)6-19-11-13-5-7(12)9(14-11)10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18)