Chem
J-GLOBAL ID：201107080527323349   Nikkaji number：J2.921.365H

1-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]pyrene

1-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイル]ピレン
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： C26H24N2O2S
Molecular formula furigana： C26-H24-N2-O2-S
Molecular weight： 428.550
InChI： InChI=1S/C26H24N2O2S/c29-21(6-1-2-7-22-25-20(14-31-22)27-26(30)28-25)18-12-10-17-9-8-15-4-3-5-16-11-13-19(18)24(17)23(15)16/h3-5,8-13,20,22,25H,1-2,6-7,14H2,(H2,27,28,30)/t20-,22-,25-/m0/s1
InChI key： AKVNOAJJWXUFFK-XTJBDQBJSA-N
SMILES： O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1ccc2ccc3cccc4ccc1c2c34
Systematic name  (3)：
  • 1-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイル]ピレン
  • (3aS,4S,6aR)-4-[5-オキソ-5-(ピレン-1-イル)ペンチル]-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-2-オン
  • (3aS,4S,6aR)-4-[5-oxo-5-(pyren-1-yl)pentyl]-hexahydro-1H-thieno[3,4-d]imidazol-2-one
Other name (1)：
  • 1-[5-[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]pyrene
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