Chem
J-GLOBAL ID：200907048102058650   Nikkaji number：J551.308A

1,3,7-Trimethyl-8-[3,5-dimethoxy-4-[[(E)-4-[[(tert-butyloxy)carbonyl]amino]-2-butenyl]oxy]styryl]xanthine

1,3,7-トリメチル-8-[3,5-ジメトキシ-4-[[(E)-4-[[(tert-ブチルオキシ)カルボニル]アミノ]-2-ブテニル]オキシ]スチリル]キサンチン
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： C27H35N5O7
Molecular formula furigana： C27-H35-N5-O7
Molecular weight： 541.605
InChI： InChI=1S/C27H35N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-18(36-7)15-17(16-19(22)37-8)11-12-20-29-23-21(30(20)4)24(33)32(6)26(35)31(23)5/h9-12,15-16H,13-14H2,1-8H3,(H,28,34)/b10-9+,12-11?
InChI key： IXODIILSAZBDLI-LYIXSAAJSA-N
SMILES： COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC/C=C/CNC(=O)OC(C)(C)C
Systematic name  (3)：
  • 1,3,7-トリメチル-8-[3,5-ジメトキシ-4-[[(E)-4-[[(tert-ブチルオキシ)カルボニル]アミノ]-2-ブテニル]オキシ]スチリル]キサンチン
  • tert-ブチル N-[(2E)-4-{2,6-ジメトキシ-4-[2-(1,3,7-トリメチル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)エテニル]フェノキシ}ブタ-2-エン-1-イル]カルバマート
  • tert-butyl N-[(2E)-4-{2,6-dimethoxy-4-[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}but-2-en-1-yl]carbamate
Other name (1)：
  • 1,3,7-Trimethyl-8-[3,5-dimethoxy-4-[[(E)-4-[[(tert-butyloxy)carbonyl]amino]-2-butenyl]oxy]styryl]xanthine
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