Chem
J-GLOBAL ID：201007018774018392   Nikkaji number：J2.832.904K

8-[6-(4-Cyanophenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine

8-[6-(4-シアノフェニルエチニル)-1-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/c38-18-21-3-1-20(2-4-21)5-6-22-7-9-24-12-15-27-23(8-10-25-11-14-26(22)32(24)33(25)27)13-16-30-40-34-35(41-37(39)42-36(34)46)43(30)31-17-28(45)29(19-44)47-31/h1-4,7-12,14-15,28-29,31,44-45H,17,19H2,(H3,39,41,42,46)/t28-,29+,31+/m0/s1
InChI key： CDNGPQLBSLJIQS-ILJQZKEFSA-N
SMILES： Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc2c(=O)[nH]1)C#Cc1ccc2ccc3c(ccc4ccc1c2c34)C#Cc1ccc(cc1)C#N
Systematic name  (4)：
  • 8-[6-(4-シアノフェニルエチニル)-1-ピレニルエチニル]-2′-デオキシグアノシン
  • 8-[[6-[(4-シアノフェニル)エチニル]-1-ピレニル]エチニル]-2′-デオキシグアノシン
  • 4-{2-[6-(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-1-イル]エチニル}ベンゾニトリル
  • 4-{2-[6-(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-1-yl]ethynyl}benzonitrile
Other name (2)：
  • 8-[6-(4-Cyanophenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine
  • 8-[[6-[(4-Cyanophenyl)ethynyl]-1-pyrenyl]ethynyl]-2′-deoxyguanosine
Thsaurus map：
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