Chem
J-GLOBAL ID：201107047545692133   Nikkaji number：J2.903.815E

8-Bromo-1,N-(2-phenylethylene)guanosine 3′,5′-thiophosphoric acid

8-ブロモ-1,N-(2-フェニルエチレン)グアノシン3′,5′-チオりん酸
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： C18H17BrN5O6PS
Molecular formula furigana： C18-H17-BR-N5-O6-P-S
Molecular weight： 542.300
InChI： InChI=1S/C18H17BrN5O6PS/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8/h1-5,9-10,12-13,16,25H,6-7H2,(H,20,22)(H,27,32)/t9?,10-,12-,13-,16-,31?/m1/s1
InChI key： OBSRCQRTEBYIQH-ODYVIOHWSA-N
SMILES： O[C@@H]1[C@@H]2OP(=O)(S)OC[C@H]2O[C@H]1n1c(Br)nc2c1nc1NC(Cn1c2=O)c1ccccc1
Systematic name  (3)：
  • 8-ブロモ-1,N-(2-フェニルエチレン)グアノシン3′,5′-チオりん酸
  • 3-[(4aR,6R,7R,7aS)-7-ヒドロキシ-2-オキソ-2-スルファニル-ヘキサヒドロ-2λ5-フロ[3,2-d][1,3,2]ジオキサホスフィニン-6-イル]-2-ブロモ-6-フェニル-3H,5H,6H,7H,9H-イミダゾ[1,2-a]プリン-9-オン
  • 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyl-hexahydro-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-3H,5H,6H,7H,9H-imidazo[1,2-a]purin-9-one
Other name (1)：
  • 8-Bromo-1,N-(2-phenylethylene)guanosine 3′,5′-thiophosphoric acid
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