2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC(=CC(=N2)[O-])C)C

InChI

InChI=1S/C15H18N2O2S/c1-10-6-11(2)8-13(7-10)19-4-5-20-15-16-12(3)9-14(18)17-15/h6-9H,4-5H2,1-3H3,(H,16,17,18)/p-1