Chem
J-GLOBAL ID:200907026921902084   Nikkaji number:J1.455.302I

2-[2-(Isobutyrylamino)-6-[(4-nitrophenethyl)oxy]-9H-purine-9-yl]aziridine-2-carboxylic acid benzyl ester

2-[2-(イソブチリルアミノ)-6-[(4-ニトロフェネチル)オキシ]-9H-プリン-9-イル]アジリジン-2-カルボン酸ベンジル
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: C27H27N6[N+]O5[O-]
Molecular formula furigana: C27-H27-N7-O6
Molecular weight: 545.556
InChI: InChI=1S/C27H27N7O6/c1-17(2)23(35)31-26-30-22-21(24(32-26)39-13-12-18-8-10-20(11-9-18)34(37)38)28-16-33(22)27(15-29-27)25(36)40-14-19-6-4-3-5-7-19/h3-11,16-17,29H,12-15H2,1-2H3,(H,30,31,32,35)
InChI key: YJBILVMBVAVONL-UHFFFAOYSA-N
SMILES: CC(C)C(=O)Nc1nc(OCCc2ccc(cc2)[N+](=O)[O-])c2ncn(c2n1)C1(CN1)C(=O)OCc1ccccc1
Systematic name  (3):
  • 2-[2-(イソブチリルアミノ)-6-[(4-ニトロフェネチル)オキシ]-9H-プリン-9-イル]アジリジン-2-カルボン酸ベンジル
  • ベンジル 2-[2-(2-メチルプロパンアミド)-6-[2-(4-ニトロフェニル)エトキシ]-9H-プリン-9-イル]アジリジン-2-カルボキシラート
  • benzyl 2-[2-(2-methylpropanamido)-6-[2-(4-nitrophenyl)ethoxy]-9H-purin-9-yl]aziridine-2-carboxylate
Other name (1):
  • 2-[2-(Isobutyrylamino)-6-[(4-nitrophenethyl)oxy]-9H-purine-9-yl]aziridine-2-carboxylic acid benzyl ester
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