2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC(=O)C=C(N2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC(=O)C=C(N2)C)C

InChI

InChI=1S/C17H20N2O2S/c1-9-6-10(2)16(13(5)20)12(4)14(9)8-22-17-18-11(3)7-15(21)19-17/h6-7H,8H2,1-5H3,(H,18,19,21)