2-ethyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-[2-(1-imidazolyl)ethylthio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-(2-imidazol-1-ylethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCN2C=CN=C2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCN2C=CN=C2)C(=O)O)C

InChI

InChI=1S/C13H16N4O2S/c1-3-10-15-9(2)11(13(18)19)12(16-10)20-7-6-17-5-4-14-8-17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)