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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-5-9-15-8(4)11(13(18)19)12(16-9)20-6-10(17)14-7(2)3/h7H,5-6H2,1-4H3,(H,14,17)(H,18,19)