Chem
J-GLOBAL ID:200907044220931967
Nikkaji number:J654.874A
2-(Phenylethynyl)-5′-(ethylamino)-5′-oxo-5′-deoxyadenosine
2-(フェニルエチニル)-5′-デオキシ-5′-オキソ-5′-(エチルアミノ)アデノシン
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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:
C20 H20 N6 O4
Molecular formula furigana:
C20-H20-N6-O4
Molecular weight:
408.418
InChI:
InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
InChI key:
SWXXHYTUMIMRFO-KSVNGYGVSA-N
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
Systematic name (4):
2-(フェニルエチニル)-5′-(エチルアミノ)-5′-オキソ-5′-デオキシアデノシン
2-(フェニルエチニル)-5′-デオキシ-5′-オキソ-5′-(エチルアミノ)アデノシン
(2S,3S,4R,5R)-5-[6-アミノ-2-(2-フェニルエチニル)-9H-プリン-9-イル]-N-エチル-3,4-ジヒドロキシオキソラン-2-カルボキサミド
(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Other name (2):
2-(Phenylethynyl)-5′-(ethylamino)-5′-oxo-5′-deoxyadenosine
2-(Phenylethynyl)-5′-deoxy-5′-oxo-5′-(ethylamino)adenosine
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