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

Systemtic Name: 4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-4-10-15-7(2)11(14(19)20)13(17-10)21-8(3)12(18)16-9-5-6-9/h8-9H,4-6H2,1-3H3,(H,16,18)(H,19,20)