Chem
J-GLOBAL ID：201707009246008310   Nikkaji number：J3.653.622E

4-[[4-[[4-[4-[(E)-2-Cyanoethenyl]-2,6-dimethylphenoxy]thieno[3,2-d]pyrimidine-2-yl]amino]-1-piperidinyl]methyl]benzene-1-sulfonamide

4-[[4-[[4-[4-[(E)-2-シアノエテニル]-2,6-ジメチルフェノキシ]チエノ[3,2-d]ピリミジン-2-イル]アミノ]-1-ピペリジニル]メチル]ベンゼン-1-スルホンアミド
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： C29H30N6O3S2
Molecular formula furigana： C29-H30-N6-O3-S2
Molecular weight： 574.720
InChI： InChI=1S/C29H30N6O3S2/c1-19-16-22(4-3-12-30)17-20(2)26(19)38-28-27-25(11-15-39-27)33-29(34-28)32-23-9-13-35(14-10-23)18-21-5-7-24(8-6-21)40(31,36)37/h3-8,11,15-17,23H,9-10,13-14,18H2,1-2H3,(H2,31,36,37)(H,32,33,34)/b4-3+
InChI key： GVCHBMCBPBRORW-ONEGZZNKSA-N
SMILES： Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(=O)(=O)N)CC2)nc2ccsc12
Systematic name  (3)：
  • 4-[[4-[[4-[4-[(E)-2-シアノエテニル]-2,6-ジメチルフェノキシ]チエノ[3,2-d]ピリミジン-2-イル]アミノ]-1-ピペリジニル]メチル]ベンゼン-1-スルホンアミド
  • 4-({4-[(4-{4-[(1E)-2-シアノエタ-1-エン-1-イル]-2,6-ジメチルフェノキシ}チエノ[3,2-d]ピリミジン-2-イル)アミノ]ピペリジン-1-イル}メチル)ベンゼン-1-スルホンアミド
  • 4-({4-[(4-{4-[(1E)-2-cyanoeth-1-en-1-yl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide
Other name (1)：
  • 4-[[4-[[4-[4-[(E)-2-Cyanoethenyl]-2,6-dimethylphenoxy]thieno[3,2-d]pyrimidine-2-yl]amino]-1-piperidinyl]methyl]benzene-1-sulfonamide
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