4-(4-cyanobutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-cyanobutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-cyanobutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-cyanobutylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-cyanobutylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-cyanobutylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCCCC#N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCCCC#N)C(=O)O)C

InChI

InChI=1S/C13H17N3O2S/c1-3-10-15-9(2)11(13(17)18)12(16-10)19-8-6-4-5-7-14/h3-6,8H2,1-2H3,(H,17,18)