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((4-Oxo-9-phenyl-7-(p-tolylamino)-3,4-dihydropyrimido[4',5':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)triphenylphosphoniumchloride

View entire compound with spectra: 1 MS (GC)

((4-Oxo-9-phenyl-7-(p-tolylamino)-3,4-dihydropyrimido[4',5':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)triphenylphosphoniumchloride
SpectraBase Compound ID AtDid4KWhH5
InChI InChI=1S/C40H30N5OPS.ClH/c1-27-22-24-29(25-23-27)41-40-44-35(28-14-6-2-7-15-28)34-36-37(48-39(34)45-40)38(46)43-33(42-36)26-47(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;/h2-25H,26H2,1H3,(H-,41,42,43,44,45,46);1H
InChIKey PGNWQARYUKJFRI-UHFFFAOYSA-N
Mol Weight 696.21 g/mol
Molecular Formula C40H31ClN5OPS
Exact Mass 695.167547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZPSWLjsSSi
Name ((4-Oxo-9-phenyl-7-(p-tolylamino)-3,4-dihydropyrimido[4',5':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)triphenylphosphoniumchloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H31ClN5OPS
InChI InChI=1S/C40H30N5OPS.ClH/c1-27-22-24-29(25-23-27)41-40-44-35(28-14-6-2-7-15-28)34-36-37(48-39(34)45-40)38(46)43-33(42-36)26-47(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;/h2-25H,26H2,1H3,(H-,41,42,43,44,45,46);1H
InChIKey PGNWQARYUKJFRI-UHFFFAOYSA-N
Molecular Weight 696.209 g/mol
SMILES N(c1nc(c2c(sc3c2N=C(NC3=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)n1)-c1ccccc1)c1ccc(cc1)C.[Cl-]
SPLASH splash10-014r-0553109000-87f23c5cbd0f7d37c280
Source of Spectrum QA-66-SM11-7
Synonyms ((4-oxo-9-phenyl-7-(p-tolylamino)-3,4-dihydrothieno[2,3-d:4,5-d']dipyrimidin-2-yl)methyl)triphenylphosphonium chloride
Wiley ID 1819627