Chem
J-GLOBAL ID：201007047385566864   Nikkaji number：J2.832.902D

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

N-(ジメチルアミノメチレン)-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
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： C40H29N7O4
Molecular formula furigana： C40-H29-N7-O4
Molecular weight： 671.717
InChI： InChI=1S/C40H29N7O4/c1-46(2)22-42-40-44-38-37(39(50)45-40)43-33(47(38)34-19-31(49)32(21-48)51-34)18-15-26-10-12-28-13-16-29-25(8-7-23-3-5-24(20-41)6-4-23)9-11-27-14-17-30(26)36(28)35(27)29/h3-6,9-14,16-17,22,31-32,34,48-49H,19,21H2,1-2H3,(H,44,45,50)/t31-,32+,34+/m0/s1
InChI key： KRCSUNJGQVZCNK-VOTWKOMSSA-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#N
Systematic name  (3)：
  • N-(ジメチルアミノメチレン)-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
  • N'-[8-(2-{6-[2-(4-シアノフェニル)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-cyanophenyl)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-cyanophenylethynyl)-1-pyrenylethynyl]-2′-deoxyguanosine
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