1-(4-ethyl-2-methylsulfanyl-pyrimidin-5-yl)butan-1-one

Systemtic Name: 1-(4-ethyl-2-methylsulfanyl-pyrimidin-5-yl)butan-1-one Openeye Name: 1-(4-ethyl-2-methylsulfanyl-pyrimidin-5-yl)butan-1-one CAS Name: 1-[4-ethyl-2-(methylthio)-5-pyrimidinyl]-1-butanone IUPAC Name: 1-(4-ethyl-2-methylsulfanylpyrimidin-5-yl)butan-1-one Traditional Name: 1-[4-ethyl-2-(methylthio)pyrimidin-5-yl]butan-1-one Formula: C11H16N2OS MolecularWeight: 224.32254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C(N=C1CC)SC

Isomeric SMILES

CCCC(=O)C1=CN=C(N=C1CC)SC

InChI

InChI=1S/C11H16N2OS/c1-4-6-10(14)8-7-12-11(15-3)13-9(8)5-2/h7H,4-6H2,1-3H3