5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl propanoate

Systemtic Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl propanoate Openeye Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl propanoate CAS Name: propanoic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester IUPAC Name: 5-(4-methyl-2-methylsulfanylpyrimidin-5-yl)penta-2,4-diynyl propanoate Traditional Name: propionic acid 5-[4-methyl-2-(methylthio)pyrimidin-5-yl]penta-2,4-diynyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC#CC#CC1=CN=C(N=C1C)SC

Isomeric SMILES

CCC(=O)OCC#CC#CC1=CN=C(N=C1C)SC

InChI

InChI=1S/C14H14N2O2S/c1-4-13(17)18-9-7-5-6-8-12-10-15-14(19-3)16-11(12)2/h10H,4,9H2,1-3H3