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9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
SpectraBase Compound ID 3WkiLcWxItT
InChI InChI=1S/C18H13F3N4O2S/c1-9-7-10(8-27-2)13-14-15(28-16(13)22-9)17(26)25(24-23-14)12-6-4-3-5-11(12)18(19,20)21/h3-7H,8H2,1-2H3
InChIKey XMSJPIXCXPYGAH-UHFFFAOYSA-N
Mol Weight 406.38 g/mol
Molecular Formula C18H13F3N4O2S
Exact Mass 406.071131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FmSNtg9O1
Name 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3N4O2S
InChI InChI=1S/C18H13F3N4O2S/c1-9-7-10(8-27-2)13-14-15(28-16(13)22-9)17(26)25(24-23-14)12-6-4-3-5-11(12)18(19,20)21/h3-7H,8H2,1-2H3
InChIKey XMSJPIXCXPYGAH-UHFFFAOYSA-N
Molecular Weight 406.383 g/mol
SMILES c12c(N=NN(C2=O)c2c(C(F)(F)F)cccc2)c2c(cc(nc2s1)C)COC
SPLASH splash10-00kb-8900100000-46a5320f8fd8df48df9b
Synonyms 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]-4-pyrido[1,2]thieno[3,4-b]triazinone 9-(methoxymethyl)-7-methyl-3-[2-(trifluoromethyl)phenyl]pyrido[1,2]thieno[3,4-b][1,2,3]triazin-4-one
Wiley ID 1443865