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7-(pentafluorophenyl)-10-oxo-1-methyl-9,10-dihydro-pyrimido[1,2-a]purine
SpectraBase Compound ID DsnqeGDIe1k
InChI InChI=1S/C15H6F5N5O/c1-24-4-22-13-12(24)14(26)25-3-5(2-21-15(25)23-13)6-7(16)9(18)11(20)10(19)8(6)17/h2-4H,1H3
InChIKey XQIHMHOLDNEJHN-UHFFFAOYSA-N
Mol Weight 367.24 g/mol
Molecular Formula C15H6F5N5O
Exact Mass 367.049251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGGK036wsF7
Name 7-(pentafluorophenyl)-10-oxo-1-methyl-9,10-dihydro-pyrimido[1,2-a]purine
Alternate Name(s) 1,n(2)-[2-(pentafluorophenyl)-prpo-2-en-2-yl-1-ylidene]-7-methylguanine 1-Methyl-7-(2,3,4,5,6-pentafluorophenyl)pyrimido[1,2-a]purin-10(1H)-one
CAS Registry Number 103025-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H6F5N5O
InChI InChI=1S/C15H6F5N5O/c1-24-4-22-13-12(24)14(26)25-3-5(2-21-15(25)23-13)6-7(16)9(18)11(20)10(19)8(6)17/h2-4H,1H3
InChIKey XQIHMHOLDNEJHN-UHFFFAOYSA-N
Molecular Weight 367.239 g/mol
SMILES C1=2N(C(c3c(N2)nc[n]3C)=O)C=C(C=N1)c1c(c(F)c(c(c1F)F)F)F
SPLASH splash10-014i-3229000000-756c179ca07047963c5c
Source of Spectrum J-51-3246-4
Wiley ID 1352423