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1-(4-Methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)ethanone O-acetyl oxime
SpectraBase Compound ID CeOIKnTeTiG
InChI InChI=1S/C21H18N4O2S/c1-13-17-18(25-11-7-8-12-25)19(14(2)24-27-15(3)26)28-21(17)23-20(22-13)16-9-5-4-6-10-16/h4-12H,1-3H3
InChIKey BKOANXWKHWCBGU-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C21H18N4O2S
Exact Mass 390.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw7kMg3UU19
Name 1-(4-Methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)ethanone O-acetyl oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O2S
InChI InChI=1S/C21H18N4O2S/c1-13-17-18(25-11-7-8-12-25)19(14(2)24-27-15(3)26)28-21(17)23-20(22-13)16-9-5-4-6-10-16/h4-12H,1-3H3
InChIKey BKOANXWKHWCBGU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200500048
Molecular Weight 390.461 g/mol
SMILES c1(nc(nc2c1c(c(s2)C(C)=NOC(=O)C)-[n]1cccc1)-c1ccccc1)C
SPLASH splash10-0fc0-6946000000-94d7764997666ad610f0
Source of Spectrum QA-52-320-8
Synonyms 1-(4-Methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)ethan-1-one O-acetyl oxime
Wiley ID 1796110