Chem
J-GLOBAL ID：201007003234974661   Nikkaji number：J2.832.900H

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

N-(ジメチルアミノメチレン)-8-[6-(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： C39H30N6O4
Molecular formula furigana： C39-H30-N6-O4
Molecular weight： 646.707
InChI： InChI=1S/C39H30N6O4/c1-44(2)22-40-39-42-37-36(38(48)43-39)41-32(45(37)33-20-30(47)31(21-46)49-33)19-16-25-11-13-27-14-17-28-24(9-8-23-6-4-3-5-7-23)10-12-26-15-18-29(25)35(27)34(26)28/h3-7,10-15,17-18,22,30-31,33,46-47H,20-21H2,1-2H3,(H,42,43,48)/t30-,31+,33+/m0/s1
InChI key： BWJVIYHUXUUJAY-RKKDRKJOSA-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#Cc1ccccc1
Systematic name  (3)：
  • N-(ジメチルアミノメチレン)-8-[6-(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'-{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-8-{2-[6-(2-フェニルエチニル)ピレン-1-イル]エチニル}-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'-{9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-8-{2-[6-(2-phenylethynyl)pyren-1-yl]ethynyl}-6,9-dihydro-1H-purin-2-yl}-N,N-dimethylmethanimidamide
Other name (1)：
  • N-(Dimethylaminomethylene)-8-[6-(phenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine
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