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2(1H)-Pteridinethione, 3,4-dihydro-4-hydroxy-4-(trifluoromethyl)-
SpectraBase Compound ID 2XmaDQuCsPO
InChI InChI=1S/C7H5F3N4OS/c8-7(9,10)6(15)3-4(12-2-1-11-3)13-5(16)14-6/h1-2,15H,(H2,12,13,14,16)
InChIKey YFTUBANSMVFJHS-UHFFFAOYSA-N
Mol Weight 250.2 g/mol
Molecular Formula C7H5F3N4OS
Exact Mass 250.013616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzFrYDVcLLd
Name 2(1H)-Pteridinethione, 3,4-dihydro-4-hydroxy-4-(trifluoromethyl)-
CAS Registry Number 32706-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5F3N4OS
InChI InChI=1S/C7H5F3N4OS/c8-7(9,10)6(15)3-4(12-2-1-11-3)13-5(16)14-6/h1-2,15H,(H2,12,13,14,16)
InChIKey YFTUBANSMVFJHS-UHFFFAOYSA-N
Molecular Weight 250.199 g/mol
SMILES N1C(=NC(c2c1nccn2)(C(F)(F)F)O)S
SPLASH splash10-0uel-9830000000-d41bb6215ab80e1ffc7b
Source of Spectrum O7-0-737-0
Synonyms 4-Hydroxy-4-(trifluoromethyl)-3,4-dihydro-2(1H)-pteridinethione 4-Hydroxy-4-(trifluoromethyl)-1,3-dihydropteridine-2-thione 4-Oxidanyl-4-(trifluoromethyl)-1,3-dihydropteridine-2-thione
Wiley ID 1252558