ethyl 2-methylsulfanyl-6-pent-1-ynyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-pent-1-ynyl-pyrimidine-4-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-pent-1-ynyl-pyrimidine-4-carboxylate CAS Name: 2-(methylthio)-6-pent-1-ynyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-pent-1-ynylpyrimidine-4-carboxylate Traditional Name: 2-(methylthio)-6-pent-1-ynyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=NC(=N1)SC)C(=O)OCC

Isomeric SMILES

CCCC#CC1=CC(=NC(=N1)SC)C(=O)OCC

InChI

InChI=1S/C13H16N2O2S/c1-4-6-7-8-10-9-11(12(16)17-5-2)15-13(14-10)18-3/h9H,4-6H2,1-3H3