4-but-3-ynylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-but-3-ynylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-but-3-ynylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(but-3-ynylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-but-3-ynylsulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(but-3-ynylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-4-6-7-17-11-10(12(15)16)8(3)13-9(5-2)14-11/h1H,5-7H2,2-3H3,(H,15,16)