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Pyrazolo[1,5-a]pyrimidine, 7-[6-(4-methoxyphenyl)-1,3,5-hexatrienyl]-5-(methylthio)-
SpectraBase Compound ID B2sdokeZwTt
InChI InChI=1S/C20H19N3OS/c1-24-18-11-9-16(10-12-18)7-5-3-4-6-8-17-15-20(25-2)22-19-13-14-21-23(17)19/h3-15H,1-2H3/b4-3+,7-5+,8-6-
InChIKey RCBHXMSPJJKZLQ-RQTBMDGKSA-N
Mol Weight 349.45 g/mol
Molecular Formula C20H19N3OS
Exact Mass 349.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13xjAhsQ623
Name Pyrazolo[1,5-a]pyrimidine, 7-[6-(4-methoxyphenyl)-1,3,5-hexatrienyl]-5-(methylthio)-
CAS Registry Number 128039-52-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3OS
InChI InChI=1S/C20H19N3OS/c1-24-18-11-9-16(10-12-18)7-5-3-4-6-8-17-15-20(25-2)22-19-13-14-21-23(17)19/h3-15H,1-2H3/b4-3+,7-5+,8-6-
InChIKey RCBHXMSPJJKZLQ-RQTBMDGKSA-N
Molecular Weight 349.452 g/mol
SMILES c12[n](C(\C=C/C=C/C=C/c3ccc(cc3)OC)=CC(=N1)SC)ncc2
SPLASH splash10-0002-0009000000-2be33025b27d6ec4a395
Source of Spectrum F-46-584-7
Synonyms 5-Methylthio-7-[6-(4-methoxyphenyl)-1,3,5-hexatrienyl]pyrazolo[1,5-a]pyrimidine 7-[(1Z,3E,5E)-6-(4-methoxyphenyl)-1,3,5-hexatrienyl]-5-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine methyl 4-{(1E,3E,5Z)-6-[5-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,5-hexatrienyl}phenyl ether
Wiley ID 1341413