4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC(C)C(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC(C)C(=O)N(C)C)C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-6-9(12(17)18)10(14-8(3)13-6)19-7(2)11(16)15(4)5/h7H,1-5H3,(H,17,18)