6-(methoxymethyl)-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-(methoxymethyl)-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyrimidin-4-olate Openeye Name: 6-(methoxymethyl)-2-[2-(p-tolylsulfonyl)ethylsulfanyl]pyrimidin-4-olate CAS Name: 6-(methoxymethyl)-2-[2-(4-methylphenyl)sulfonylethylthio]-4-pyrimidinolate IUPAC Name: 6-(methoxymethyl)-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyrimidin-4-olate Traditional Name: 6-(methoxymethyl)-2-(2-tosylethylthio)pyrimidin-4-olate Formula: C15H17N2O4S2- MolecularWeight: 353.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC(=CC(=N2)[O-])COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC(=CC(=N2)[O-])COC

InChI

InChI=1S/C15H18N2O4S2/c1-11-3-5-13(6-4-11)23(19,20)8-7-22-15-16-12(10-21-2)9-14(18)17-15/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18)/p-1