6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-olate CAS Name: 6-methyl-2-[(3-methylphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[(3-methylbenzyl)thio]pyrimidin-4-olate Formula: C13H13N2OS- MolecularWeight: 245.32012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2OS/c1-9-4-3-5-11(6-9)8-17-13-14-10(2)7-12(16)15-13/h3-7H,8H2,1-2H3,(H,14,15,16)/p-1