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

Systemtic Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=NN=C(N2C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=NN=C(N2C)C)C(=O)O

InChI

InChI=1S/C12H15N5O2S/c1-6-10(12(18)19)11(14-7(2)13-6)20-5-9-16-15-8(3)17(9)4/h5H2,1-4H3,(H,18,19)