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

Systemtic Name: 2-ethyl-4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-4-9-15-8(2)11(13(18)19)12(16-9)21-7-10(17)14-5-6-20-3/h4-7H2,1-3H3,(H,14,17)(H,18,19)