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7-(5-Amino-3-oxopyrazolidin-1-yl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':4,5]thieno[3,2-d]pyrimidine
SpectraBase Compound ID BW1H393qK5
InChI InChI=1S/C17H13N7OS/c1-9-13-14-15(16(20-8-19-14)24-11(18)7-12(25)22-24)26-17(13)23(21-9)10-5-3-2-4-6-10/h2-8H,18H2,1H3,(H,22,25)
InChIKey GJHBEFGPZKSJCS-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C17H13N7OS
Exact Mass 363.090229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KL0EXCYXdIW
Name 7-(5-Amino-3-oxopyrazolidin-1-yl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':4,5]thieno[3,2-d]pyrimidine
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N7OS
InChI InChI=1S/C17H13N7OS/c1-9-13-14-15(16(20-8-19-14)24-11(18)7-12(25)22-24)26-17(13)23(21-9)10-5-3-2-4-6-10/h2-8H,18H2,1H3,(H,22,25)
InChIKey GJHBEFGPZKSJCS-UHFFFAOYSA-N
Instrument Name Joel-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201900374
Molecular Weight 363.399 g/mol
SMILES N1C(C=C(N1c1c2c(ncn1)c1c(s2)[n](nc1C)-c1ccccc1)N)=O
SPLASH splash10-0a6r-9221000000-2ffb640f1116d0cff061
Source of Spectrum QA-67-SM22-10
Wiley ID 1856318