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6-(3,3-Bis(methylthio)-2-propen-1-one)-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine
SpectraBase Compound ID 4SZxRBoDcwB
InChI InChI=1S/C22H19N3OS3/c1-14-18-19(25-11-7-8-12-25)20(16(26)13-17(27-2)28-3)29-22(18)24-21(23-14)15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKey JOJSMTCMNBGBGD-UHFFFAOYSA-N
Mol Weight 437.59 g/mol
Molecular Formula C22H19N3OS3
Exact Mass 437.069026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Afj5tl4Fsru
Name 6-(3,3-Bis(methylthio)-2-propen-1-one)-5-(1-pyrrolyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3OS3
InChI InChI=1S/C22H19N3OS3/c1-14-18-19(25-11-7-8-12-25)20(16(26)13-17(27-2)28-3)29-22(18)24-21(23-14)15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKey JOJSMTCMNBGBGD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200700154
Molecular Weight 437.594 g/mol
SMILES c1(nc2c(c(n1)C)c(c(s2)C(C=C(SC)SC)=O)-[n]1cccc1)-c1ccccc1
SPLASH splash10-000x-5529100000-683461907ee44d2b9e6e
Source of Spectrum QA-54-1081-6
Synonyms 1-(4-Methyl-2-phenyl-5-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-6-yl)-3,3-bis(methylthio)prop-2-en-1-one
Wiley ID 1796325