Chem
J-GLOBAL ID：201007022350733960   Nikkaji number：J2.832.903B

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

8-[7-(4-アセチルフェニルエチニル)-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： C38H27N5O5
Molecular formula furigana： C38-H27-N5-O5
Molecular weight： 633.664
InChI： InChI=1S/C38H27N5O5/c1-20(45)24-7-4-21(5-8-24)2-3-22-14-25-9-11-27-16-23(17-28-12-10-26(15-22)33(25)34(27)28)6-13-31-40-35-36(41-38(39)42-37(35)47)43(31)32-18-29(46)30(19-44)48-32/h4-5,7-12,14-17,29-30,32,44,46H,18-19H2,1H3,(H3,39,41,42,47)/t29-,30+,32+/m0/s1
InChI key： ISJCAGYKWGMICZ-XAGDYJCDSA-N
SMILES： CC(=O)c1ccc(cc1)C#Cc1cc2ccc3cc(cc4ccc(c1)c2c34)C#Cc1nc2c(nc(N)[nH]c2=O)n1[C@H]1C[C@H](O)[C@@H](CO)O1
Systematic name  (3)：
  • 8-[7-(4-アセチルフェニルエチニル)-2-ピレニルエチニル]-2′-デオキシグアノシン
  • 8-(2-{7-[2-(4-アセチルフェニル)エチニル]ピレン-2-イル}エチニル)-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]-6,9-ジヒドロ-1H-プリン-6-オン
  • 8-(2-{7-[2-(4-acetylphenyl)ethynyl]pyren-2-yl}ethynyl)-2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Other name (1)：
  • 8-[7-(4-Acetylphenylethynyl)-2-pyrenylethynyl]-2′-deoxyguanosine
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