3-{[4-(2-Thienylcarbonyl)-1,4-diazepan-1-yl]carbonyl}-2-pyrazinecarboxylic acid

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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Other Names 2-Pyrazinecarboxylic acid, 3-{[hexahydro-4-(2-thienylcarbonyl)-1H-1,4-diazepin-1-yl]carbonyl}-

In Other Databases

ChemSpider 2089301
PubChem 2810886