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

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C17H19N2O2S- MolecularWeight: 315.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC(=CC(=N2)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC(=CC(=N2)[O-])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)/p-1