Systematic / IUPAC Name: 3-{[4-(2-Thienylcarbonyl)-1,4-diazepan-1-yl]carbonyl}-2-pyrazinecarboxylic acid
ID: Reference4544
Other Names: 2-Pyrazinecarboxylic acid, 3-{[hexahydro-4-(2-thienylcarbonyl)-1H-1,4-diazepin-1-yl]carbonyl}-
Formula: C16H16N4O4S
3-{[4-(2-Thienylcarbonyl)-1,4-diazepan-1-yl]carbonyl}-2-pyrazinecarboxylic 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 | 2 |
No. of Spectra | 238 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 4/14/2016 7:00:43 AM |
InChI | InChI=1S/C16H16N4O4S/c21-14(11-3-1-10-25-11)19-6-2-7-20(9-8-19)15(22)12-13(16(23)24)18-5-4-17-12/h1,3-5,10H,2,6-9H2,(H,23,24) |
InChI Key | IINMPKWQIARZIZ-UHFFFAOYSA-N |
Canonical SMILES | C1CN(CCN(C1)C(=O)C2=NC=CN=C2C(=O)O)C(=O)C3=CC=CS3 |
CAS | |
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Other Names | 2-Pyrazinecarboxylic acid, 3-{[hexahydro-4-(2-thienylcarbonyl)-1H-1,4-diazepin-1-yl]carbonyl}- |