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4-(5-Methyl-4-oxo-6-(pyridin-2-ylcarbamoyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 6PuMmiUieHS
InChI InChI=1S/C26H20N4O5S2/c1-15-6-12-19(13-7-15)37(33,34)35-18-10-8-17(9-11-18)23-29-24(31)21-16(2)22(36-26(21)30-23)25(32)28-20-5-3-4-14-27-20/h3-14H,1-2H3,(H,27,28,32)(H,29,30,31)
InChIKey WFOSEABHNKLJLA-UHFFFAOYSA-N
Mol Weight 532.59 g/mol
Molecular Formula C26H20N4O5S2
Exact Mass 532.087512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tSAjqnng2k
Name 4-(5-Methyl-4-oxo-6-(pyridin-2-ylcarbamoyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N4O5S2
InChI InChI=1S/C26H20N4O5S2/c1-15-6-12-19(13-7-15)37(33,34)35-18-10-8-17(9-11-18)23-29-24(31)21-16(2)22(36-26(21)30-23)25(32)28-20-5-3-4-14-27-20/h3-14H,1-2H3,(H,27,28,32)(H,29,30,31)
InChIKey WFOSEABHNKLJLA-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4002
Molecular Weight 532.589 g/mol
SMILES N1C(c2c(c(C(=O)Nc3ncccc3)sc2N=C1c1ccc(cc1)OS(c1ccc(cc1)C)(=O)=O)C)=O
SPLASH splash10-004i-0900000000-6946df315afbdec471c3
Source of Spectrum Y-57-2932-5
Wiley ID 1860285