Chem
J-GLOBAL ID：201407046206299827   Nikkaji number：J3.323.458I

[M+6]LCI-699

4-(13C,15N)シアノ-2-フルオロ-1-[(5R)-6,7-ジヒドロ-(6,6,7,7-2H4)-5H-ピロロ[1,2-c]イミダゾール-5-イル]ベンゼン
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： C12[13C]H6[2H]4FN2[15N]
Molecular formula furigana： C13-H10-F-N3
Molecular weight： 233.252
InChI： InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1/i2D2,4D2,6+1,15+1
InChI key： USUZGMWDZDXMDG-RVQPWHPNSA-N
SMILES： C1([2H])([2H])[C@H](c2ccc(cc2F)[13C]#[15N])n2cncc2C1([2H])[2H]
Systematic name  (3)：
  • 4-(13C,15N)シアノ-2-フルオロ-1-[(5R)-6,7-ジヒドロ-(6,6,7,7-2H4)-5H-ピロロ[1,2-c]イミダゾール-5-イル]ベンゼン
  • 3-フルオロ-4-[(5R)-(6,6,7,7-2H4)-5H,6H,7H-ピロロ[1,2-c]イミダゾール-5-イル]ベンゼン-1-(13C,15N)カルボニトリル
  • 3-fluoro-4-[(5R)-(6,6,7,7-2H4)-5H,6H,7H-pyrrolo[1,2-c]imidazol-5-yl]benzene-1-(13C,15N)carbonitrile
Other name (2)：
  • 4-(13C,15N)Cyano-2-fluoro-1-[(5R)-6,7-dihydro-(6,6,7,7-2H4)-5H-pyrrolo[1,2-c]imidazole-5-yl]benzene
  • [M+6]LCI-699
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