diethyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanedioate Openeye Name: diethyl 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanedioate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanedioate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)C)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-4-23-16(21)15(17(22)24-5-2)25-18-19-12(3)11-14(20-18)13-9-7-6-8-10-13/h6-11,15H,4-5H2,1-3H3