4-but-3-ynylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-but-3-ynylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-but-3-ynylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(but-3-ynylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-but-3-ynylsulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(but-3-ynylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC#C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC#C)C(=O)O

InChI

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