Chem
J-GLOBAL ID：201007050989591841   Nikkaji number：J2.832.906G

N-(Dimethylaminomethylene)-8-[7-(4-cyanophenylethynyl)-2-pyrenylethynyl]-2′-deoxyguanosine

N-(ジメチルアミノメチレン)-8-[7-(4-シアノフェニルエチニル)-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： 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)14-9-26-17-29-12-10-27-15-25(8-5-23-3-6-24(20-41)7-4-23)16-28-11-13-30(18-26)36(29)35(27)28/h3-4,6-7,10-13,15-18,22,31-32,34,48-49H,19,21H2,1-2H3,(H,44,45,50)/t31-,32+,34+/m0/s1
InChI key： DBAMXNQOHLFSIX-VOTWKOMSSA-N
SMILES： CN(C)C=Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc2c(=O)[nH]1)C#Cc1cc2ccc3cc(cc4ccc(c1)c2c34)C#Cc1ccc(cc1)C#N
Systematic name  (3)：
  • N-(ジメチルアミノメチレン)-8-[7-(4-シアノフェニルエチニル)-2-ピレニルエチニル]-2′-デオキシグアノシン
  • N'-[8-(2-{7-[2-(4-シアノフェニル)エチニル]ピレン-2-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-{7-[2-(4-cyanophenyl)ethynyl]pyren-2-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-[7-(4-cyanophenylethynyl)-2-pyrenylethynyl]-2′-deoxyguanosine
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