Chem
J-GLOBAL ID：201407028440039237   Nikkaji number：J3.318.374G

HTL-6641

2-オキソ-3-(5,6-ジメトキシピリジン-3-イル)-1-(2,4,6-トリフルオロベンジル)-1,2-ジヒドロ-3H-4-チアピリド[2,3-d]ピリミジン4,4-ジオキシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H15F3N4O3[O-]2[S+2]
Molecular formula furigana： C20-H15-F3-N4-O5-S
Molecular weight： 480.420
InChI： InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3
InChI key： SUQZCEUKWPKXEE-UHFFFAOYSA-N
SMILES： COc1cc(cnc1OC)N1C(=O)N(Cc2c(F)cc(F)cc2F)c2ncccc2[S+2]1([O-])[O-]
Systematic name  (3)：
  • 2-オキソ-3-(5,6-ジメトキシピリジン-3-イル)-1-(2,4,6-トリフルオロベンジル)-1,2-ジヒドロ-3H-4-チアピリド[2,3-d]ピリミジン4,4-ジオキシド
  • 2-(5,6-ジメトキシピリジン-3-イル)-3-オキソ-4-[(2,4,6-トリフルオロフェニル)メチル]-1H,2H,3H,4H-ピリド[2,3-e][1,2,4]チアジアジン-1,1-ジイウム-1,1-ビス(オラート)
  • 2-(5,6-dimethoxypyridin-3-yl)-3-oxo-4-[(2,4,6-trifluorophenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-e][1,2,4]thiadiazine-1,1-diium-1,1-bis(olate)
Other name (2)：
  • 2-Oxo-3-(5,6-dimethoxypyridine-3-yl)-1-(2,4,6-trifluorobenzyl)-1,2-dihydro-3H-4-thiapyrido[2,3-d]pyrimidine 4,4-dioxide
  • HTL-6641
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