Chem
J-GLOBAL ID：201007028244914589   Nikkaji number：J2.832.908C

8-[7-(4-Cyanophenylethynyl)-2-pyrenylethynyl]-2′-deoxyguanosine

8-[7-(4-シアノフェニルエチニル)-2-ピレニルエチニル]-2′-デオキシグアノシン
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： C37H24N6O4
Molecular formula furigana： C37-H24-N6-O4
Molecular weight： 616.637
InChI： InChI=1S/C37H24N6O4/c38-18-21-4-1-20(2-5-21)3-6-22-13-24-8-10-26-15-23(16-27-11-9-25(14-22)32(24)33(26)27)7-12-30-40-34-35(41-37(39)42-36(34)46)43(30)31-17-28(45)29(19-44)47-31/h1-2,4-5,8-11,13-16,28-29,31,44-45H,17,19H2,(H3,39,41,42,46)/t28-,29+,31+/m0/s1
InChI key： SCFPWCOMQPANDB-ILJQZKEFSA-N
SMILES： Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc2c(=O)[nH]1)C#Cc1cc2ccc3cc(cc4ccc(c1)c2c34)C#Cc1ccc(cc1)C#N
Systematic name  (4)：
  • 8-[7-(4-シアノフェニルエチニル)-2-ピレニルエチニル]-2′-デオキシグアノシン
  • 8-[[7-[(4-シアノフェニル)エチニル]-2-ピレニル]エチニル]-2′-デオキシグアノシン
  • 4-{2-[7-(2-{2-アミノ-9-[(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]-6-オキソ-6,9-ジヒドロ-1H-プリン-8-イル}エチニル)ピレン-2-イル]エチニル}ベンゾニトリル
  • 4-{2-[7-(2-{2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-8-yl}ethynyl)pyren-2-yl]ethynyl}benzonitrile
Other name (2)：
  • 8-[7-(4-Cyanophenylethynyl)-2-pyrenylethynyl]-2′-deoxyguanosine
  • 8-[[7-[(4-Cyanophenyl)ethynyl]-2-pyrenyl]ethynyl]-2′-deoxyguanosine
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