1-(4-butylsulfanyl-6-methyl-2-phenyl-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(4-butylsulfanyl-6-methyl-2-phenyl-pyrimidin-5-yl)ethanone Openeye Name: 1-(4-butylsulfanyl-6-methyl-2-phenyl-pyrimidin-5-yl)ethanone CAS Name: 1-[4-(butylthio)-6-methyl-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-(4-butylsulfanyl-6-methyl-2-phenylpyrimidin-5-yl)ethanone Traditional Name: 1-[4-(butylthio)-6-methyl-2-phenyl-pyrimidin-5-yl]ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2OS/c1-4-5-11-21-17-15(13(3)20)12(2)18-16(19-17)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3