Chem
J-GLOBAL ID：201007038476249625   Nikkaji number：J2.832.899K

N-(Dimethylaminomethylene)-8-(6-bromo-1-pyrenylethynyl)-2′-deoxyguanosine

N-(ジメチルアミノメチレン)-8-(6-ブロモ-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： C31H25BrN6O4
Molecular formula furigana： C31-H25-BR-N6-O4
Molecular weight： 625.483
InChI： InChI=1S/C31H25BrN6O4/c1-37(2)15-33-31-35-29-28(30(41)36-31)34-24(38(29)25-13-22(40)23(14-39)42-25)12-8-16-3-4-17-6-10-20-21(32)11-7-18-5-9-19(16)26(17)27(18)20/h3-7,9-11,15,22-23,25,39-40H,13-14H2,1-2H3,(H,35,36,41)/t22-,23+,25+/m0/s1
InChI key： BXVKVIGSDXVURG-JBRSBNLGSA-N
SMILES： CN(C)C=Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc2c(=O)[nH]1)C#Cc1ccc2ccc3c(Br)ccc4ccc1c2c34
Systematic name  (3)：
  • N-(ジメチルアミノメチレン)-8-(6-ブロモ-1-ピレニルエチニル)-2′-デオキシグアノシン
  • N'-{8-[2-(6-ブロモピレン-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-bromopyren-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-bromo-1-pyrenylethynyl)-2′-deoxyguanosine
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