4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(dimethylamino)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(dimethylamino)-2-keto-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)N(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)N(C)C)C(=O)O)C

InChI

InChI=1S/C12H17N3O3S/c1-5-8-13-7(2)10(12(17)18)11(14-8)19-6-9(16)15(3)4/h5-6H2,1-4H3,(H,17,18)