Chem
J-GLOBAL ID：201507017480073213   Nikkaji number：J3.426.835E

[11C-thiocarbonyl]Tanaproget

[11C-チオカルボニル]タナプロゲット
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： C15[11C]H15N3OS
Molecular formula furigana： C16-H15-N3-O-S
Molecular weight： 296.380
InChI： InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)/i15-1
InChI key： PYVFWTPEBMRKSR-HUYCHCPVSA-N
SMILES： Cn1c(ccc1c1ccc2N[11C](=S)OC(C)(C)c2c1)C#N
Systematic name  (3)：
  • 6-(5-シアノ-1-メチル-1H-ピロール-2-イル)-4,4-ジメチル-(2-11C)4H-3,1-ベンゾオキサジン-2(1H)-チオン
  • 5-[4,4-ジメチル-2-スルファニリデン-2,4-ジヒドロ(2-11C)-1H-3,1-ベンゾオキサジン-6-イル]-1-メチル-1H-ピロール-2-カルボニトリル
  • 5-[4,4-dimethyl-2-sulfanylidene-2,4-dihydro(2-11C)-1H-3,1-benzoxazin-6-yl]-1-methyl-1H-pyrrole-2-carbonitrile
Other name (3)：
  • 6-(5-Cyano-1-methyl-1H-pyrrole-2-yl)-4,4-dimethyl-(2-11C)4H-3,1-benzooxazine-2(1H)-thione
  • [11C-チオカルボニル]タナプロゲット
  • [11C-thiocarbonyl]Tanaproget
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