diethyl 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-4-18-10(16)9(11(17)19-5-2)20-12-13-7(3)6-8(15)14-12/h6,9H,4-5H2,1-3H3,(H,13,14,15)