Systematic / IUPAC Name: 3-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbamoyl]-2-pyrazinecarboxylic acid
ID: Reference4680
Other Names: 2-Pyrazinecarboxylic acid, 3-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]carbonyl}-
Formula: C16H13N5O3
4-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 4/27/2016 8:06:22 AM |
InChI | InChI=1S/C16H13N5O3/c1-21-12(9-11(20-21)10-5-3-2-4-6-10)19-15(22)13-14(16(23)24)18-8-7-17-13/h2-9H,1H3,(H,19,22)(H,23,24) |
InChI Key | NFRXFVVHLIFKHY-UHFFFAOYSA-N |
Canonical SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3C(=O)O |
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Other Names | 2-Pyrazinecarboxylic acid, 3-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]carbonyl}- |