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

Systemtic Name: 4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(cyclopropylamino)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2CC2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2CC2)C(=O)O)C

InChI

InChI=1S/C13H17N3O3S/c1-3-9-14-7(2)11(13(18)19)12(16-9)20-6-10(17)15-8-4-5-8/h8H,3-6H2,1-2H3,(H,15,17)(H,18,19)