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

Systemtic Name: 4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-6-9-14-7(2)10(13(18)19)11(15-9)20-8(3)12(17)16(4)5/h8H,6H2,1-5H3,(H,18,19)