dimethyl 5-(2,2-dimethylpropanoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(2,2-dimethylpropanoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(2,2-dimethylpropanoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2,2-dimethylpropanoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-pivaloyl-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(NC(=S)N=C1C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)C1=C(NC(=S)N=C1C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16N2O5S/c1-13(2,3)9(16)6-7(10(17)19-4)14-12(21)15-8(6)11(18)20-5/h1-5H3,(H,14,15,21)