2-ethyl-4-methyl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-prop-2-ynylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-(prop-2-ynylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-prop-2-ynylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-(propargylthio)pyrimidine-5-carboxylic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC#C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC#C)C(=O)O)C

InChI

InChI=1S/C11H12N2O2S/c1-4-6-16-10-9(11(14)15)7(3)12-8(5-2)13-10/h1H,5-6H2,2-3H3,(H,14,15)