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Ethyl 3-methyl-5-(pyrrol-1-yl)-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carboxylate
SpectraBase Compound ID 5agNuxQLjou
InChI InChI=1S/C21H17N5O2S/c1-3-28-21(27)18-17(25-11-7-8-12-25)16-20(29-18)23-19-15(22-16)13(2)24-26(19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKey LXMYMNNLRCYHGB-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C21H17N5O2S
Exact Mass 403.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8eLcjuUG6j
Name Ethyl 3-methyl-5-(pyrrol-1-yl)-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carboxylate
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O2S
InChI InChI=1S/C21H17N5O2S/c1-3-28-21(27)18-17(25-11-7-8-12-25)16-20(29-18)23-19-15(22-16)13(2)24-26(19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKey LXMYMNNLRCYHGB-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 plus
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201900056
Molecular Weight 403.460 g/mol
SMILES c12nc3c(nc2[n](nc1C)-c1ccccc1)sc(c3-[n]1cccc1)C(=O)OCC
SPLASH splash10-0f89-3119500000-4aba76a60dc5b6d2747d
Source of Spectrum QA-67-SM16-5a
Wiley ID 1840139