Chem
J-GLOBAL ID:200907049799933933   Nikkaji number:J846.077I

9-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)-15-yl]-8-bromo-9H-purin-6(1H)-one

9-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン)-15-イル]-8-ブロモ-9H-プリン-6(1H)-オン
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: C19H21BrN4O6
Molecular formula furigana: C19-H21-BR-N4-O6
Molecular weight: 481.303
InChI: InChI=1S/C19H21BrN4O6/c20-19-23-16-17(21-12-22-18(16)25)24(19)13-1-2-14-15(11-13)30-10-8-28-6-4-26-3-5-27-7-9-29-14/h1-2,11-12H,3-10H2,(H,21,22,25)
InChI key: IPITZKJIVNTBNO-UHFFFAOYSA-N
SMILES: Brc1nc2c(nc[nH]c2=O)n1c1ccc2OCCOCCOCCOCCOc2c1
Systematic name  (3):
  • 9-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン)-15-イル]-8-ブロモ-9H-プリン-6(1H)-オン
  • 8-ブロモ-9-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)-6,9-ジヒドロ-1H-プリン-6-オン
  • 8-bromo-9-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-6,9-dihydro-1H-purin-6-one
Other name (1):
  • 9-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)-15-yl]-8-bromo-9H-purin-6(1H)-one
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