Chem
J-GLOBAL ID：200907041858736615   Nikkaji number：J2.408.100A

Polycarpaurine A

ポリカルパウリンA
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： C22H24N6O2S
Molecular formula furigana： C22-H24-N6-O2-S
Molecular weight： 436.530
InChI： InChI=1S/C22H24N6O2S/c1-27-19(17(25-21(27)23)13-5-9-15(29-3)10-6-13)31-20-18(26-22(24)28(20)2)14-7-11-16(30-4)12-8-14/h5-12H,1-4H3,(H2,23,25)(H2,24,26)
InChI key： MFYQKLYRRCYHIK-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)c1nc(N)n(C)c1Sc1c(nc(N)n1C)c1ccc(OC)cc1
Systematic name  (3)：
  • 5,5′-チオビス[1-メチル-4-(4-メトキシフェニル)-1H-イミダゾール-2-アミン]
  • 5-{[2-アミノ-4-(4-メトキシフェニル)-1-メチル-1H-イミダゾール-5-イル]スルファニル}-4-(4-メトキシフェニル)-1-メチル-1H-イミダゾール-2-アミン
  • 5-{[2-amino-4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5-yl]sulfanyl}-4-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
Other name (3)：
  • 5,5′-Thiobis[1-methyl-4-(4-methoxyphenyl)-1H-imidazole-2-amine]
  • ポリカルパウリンA
  • Polycarpaurine A
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