6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(ethoxymethyl)-5-[(4-ethoxyphenyl)methyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-(4-ethoxybenzyl)-6-(ethoxymethyl)-2-(methylthio)pyrimidin-4-olate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C(=NC(=N1)SC)[O-])CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCOCC1=C(C(=NC(=N1)SC)[O-])CC2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H22N2O3S/c1-4-21-11-15-14(16(20)19-17(18-15)23-3)10-12-6-8-13(9-7-12)22-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,18,19,20)/p-1