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

Systemtic Name: 2-ethyl-4-methyl-6-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[2-(methylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[2-(methylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[2-(methylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-2-(methylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3S/c1-4-7-13-6(2)9(11(16)17)10(14-7)18-5-8(15)12-3/h4-5H2,1-3H3,(H,12,15)(H,16,17)