2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C14H15N2OS- MolecularWeight: 259.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)[O-])C)C

InChI

InChI=1S/C14H16N2OS/c1-9-4-5-12(10(2)6-9)8-18-14-15-11(3)7-13(17)16-14/h4-7H,8H2,1-3H3,(H,15,16,17)/p-1