4-Oxo-6-(3-pyridyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
4-Oxo-6-(3-pyridyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile Structure
Systematic / IUPAC Name: 4-Oxo-6-(3-pyridinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
ID: Reference3882
Other Names:
4-Hydroxy-2-mercapto-6-pyridin-3-yl-pyrimidine-5-carbonitrile;
4-Hydroxy-6-(pyridin-3-yl)-2-sulfanylpyrimidine-5-carbonitrile;
4-Oxo-6-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile ;
5-Pyrimidinecarbonitrile, 4-hydroxy-2-mercapto-6-(3-pyridinyl)-;
6-Hydroxy-4-(3-pyridyl)-2-sulfanylpyrimidine-5-carbonitrile
Formula: C10H6N4OS
Spectral Data
4-Oxo-6-(3-pyridyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 174 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/16/2016 11:48:15 AM |
Identificators
| InChI | InChI=1S/C10H6N4OS/c11-4-7-8(6-2-1-3-12-5-6)13-10(16)14-9(7)15/h1-3,5H,(H2,13,14,15,16) |
| InChI Key | OFEUSEIZEIOSCH-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CN=C1)C2=C(C(=O)NC(=S)N2)C#N |
| CAS | |
| Splash | |
| Other Names |
4-Hydroxy-2-mercapto-6-pyridin-3-yl-pyrimidine-5-carbonitrile; 4-Hydroxy-6-(pyridin-3-yl)-2-sulfanylpyrimidine-5-carbonitrile; 4-Oxo-6-pyridin-3-yl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile ; 5-Pyrimidinecarbonitrile, 4-hydroxy-2-mercapto-6-(3-pyridinyl)-; 6-Hydroxy-4-(3-pyridyl)-2-sulfanylpyrimidine-5-carbonitrile |