4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=NN=C(N2C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=NN=C(N2C)C)C(=O)O)C

InChI

InChI=1S/C13H17N5O2S/c1-5-9-14-7(2)11(13(19)20)12(15-9)21-6-10-17-16-8(3)18(10)4/h5-6H2,1-4H3,(H,19,20)