Ethyl 4-hydroxy-2-mercaptopyrimidine-5-carboxylate

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Systematic / IUPAC Name: Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

ID: Reference6636

Other Names: 2-Mercapto-5-carbethoxyuracil;
2-Mercapto-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester;
2-Thioisoorotic acid ethyl ester;
4-Hydroxy-2-mercapto-5-pyrimidinecarboxylic acid ethyl ester;
5-Carbethoxy-2-thiouracil ; more

Formula: C7H8N2O3S

Spectral Data

Ethyl 4-hydroxy-2-mercaptopyrimidine-5-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/24/2017 1:19:13 PM
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Identificators

InChI InChI=1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)
InChI Key FQFSHLBWRUOCPX-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CNC(=S)NC1=O
CAS 38026469
Splash
Other Names 2-Mercapto-5-carbethoxyuracil;
2-Mercapto-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester;
2-Thioisoorotic acid ethyl ester;
4-Hydroxy-2-mercapto-5-pyrimidinecarboxylic acid ethyl ester;
5-Carbethoxy-2-thiouracil;
5-Carbethoxy-4-hydroxy-2-mercaptopyrimidine;
5-Carboethoxy-2-thiouracil;
5-Ethoxycarbonyl-2-thiouracil;
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester;
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester;
5-Pyrimidinecarboxylic acid, 4-hydroxy-2-mercapto-, ethyl ester;
Ethyl 2-thiouracil-5-carboxylate;
Ethyl 4-hydroxy-2-sulfanylpyrimidine-5-carboxylate;
Ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate;
Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;
Ethyl 6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate;
Ethyl 6-oxo-2-thioxo-1,3-dihydropyrimidine-5-carboxylate;
Uracil, 5-carbethoxy-2-thio-

In Other Databases

ChEMBL CHEMBL3272429
ChemSpider 643098
ChemIDPlus 038026469
PubChem 735952