Chem
J-GLOBAL ID：200907002718397327   Nikkaji number：J2.065.932G

1-(1-Pyrenyl)-5-(2′-deoxy-7-carbaadenosine-7-yl)-4-pentyne-1-one

1-(1-ピレニル)-5-(2′-デオキシ-7-カルバアデノシン-7-イル)-4-ペンチン-1-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： C32H26N4O4
Molecular formula furigana： C32-H26-N4-O4
Molecular weight： 530.584
InChI： InChI=1S/C32H26N4O4/c33-31-30-21(15-36(32(30)35-17-34-31)27-14-25(39)26(16-37)40-27)4-1-2-7-24(38)22-12-10-20-9-8-18-5-3-6-19-11-13-23(22)29(20)28(18)19/h3,5-6,8-13,15,17,25-27,37,39H,2,7,14,16H2,(H2,33,34,35)/t25-,26+,27+/m0/s1
InChI key： BQPRUQZPDHBCOV-OYUWMTPXSA-N
SMILES： Nc1ncnc2n(cc(C#CCCC(=O)c3ccc4ccc5cccc6ccc3c4c56)c12)[C@H]1C[C@H](O)[C@@H](CO)O1
Systematic name  (3)：
  • 1-(1-ピレニル)-5-(2′-デオキシ-7-カルバアデノシン-7-イル)-4-ペンチン-1-オン
  • 5-{4-アミノ-7-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-7H-ピロロ[2,3-d]ピリミジン-5-イル}-1-(ピレン-1-イル)ペンタ-4-イン-1-オン
  • 5-{4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-1-(pyren-1-yl)pent-4-yn-1-one
Other name (1)：
  • 1-(1-Pyrenyl)-5-(2′-deoxy-7-carbaadenosine-7-yl)-4-pentyne-1-one
Thsaurus map：
Thesaurus Map

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