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

Systemtic Name: 2-ethyl-4-methyl-6-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[1-(methylamino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[1-(methylamino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-1-methyl-2-(methylamino)ethyl]thio]-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)SC(C)C(=O)NC)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-5-8-14-6(2)9(12(17)18)11(15-8)19-7(3)10(16)13-4/h7H,5H2,1-4H3,(H,13,16)(H,17,18)