Chem
J-GLOBAL ID：201007091615625198   Nikkaji number：J2.832.901F

N-(Dimethylaminomethylene)-8-[6-(4-acetylphenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine

N-(ジメチルアミノメチレン)-8-[6-(4-アセチルフェニルエチニル)-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： C41H32N6O5
Molecular formula furigana： C41-H32-N6-O5
Molecular weight： 688.744
InChI： InChI=1S/C41H32N6O5/c1-23(49)25-7-4-24(5-8-25)6-9-26-10-12-28-15-18-31-27(11-13-29-14-17-30(26)36(28)37(29)31)16-19-34-43-38-39(44-41(45-40(38)51)42-22-46(2)3)47(34)35-20-32(50)33(21-48)52-35/h4-5,7-8,10-15,17-18,22,32-33,35,48,50H,20-21H2,1-3H3,(H,44,45,51)/t32-,33+,35+/m0/s1
InChI key： MZOWXDIYPBMEPF-VUHKNJSWSA-N
SMILES： CN(C)C=Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc2c(=O)[nH]1)C#Cc1ccc2ccc3c(ccc4ccc1c2c34)C#Cc1ccc(cc1)C(=O)C
Systematic name  (3)：
  • N-(ジメチルアミノメチレン)-8-[6-(4-アセチルフェニルエチニル)-1-ピレニルエチニル]-2′-デオキシグアノシン
  • N'-[8-(2-{6-[2-(4-アセチルフェニル)エチニル]ピレン-1-イル}エチニル)-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-2-イル]-N,N-ジメチルメタンイミドアミド
  • N'-[8-(2-{6-[2-(4-acetylphenyl)ethynyl]pyren-1-yl}ethynyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl]-N,N-dimethylmethanimidamide
Other name (1)：
  • N-(Dimethylaminomethylene)-8-[6-(4-acetylphenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine
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