Chem
J-GLOBAL ID：200907042095757329   Nikkaji number：J999.863B

5,5′-[(2,2′-Dimethyl-5,5′-dipropoxy-1,1′-biphenyl-4,4′-diyl)bis(nitrilomethylidyne)]bis(2-thioxohexahydropyrimidine-4,6-dione)

5,5′-[(2,2′-ジメチル-5,5′-ジプロポキシ-1,1′-ビフェニル-4,4′-ジイル)ビス(ニトリロメチリジン)]ビス(2-チオキソヘキサヒドロピリミジン-4,6-ジオン)
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： C30H32N6O6S2
Molecular formula furigana： C30-H32-N6-O6-S2
Molecular weight： 636.740
InChI： InChI=1S/C30H32N6O6S2/c1-5-7-41-23-11-17(15(3)9-21(23)31-13-19-25(37)33-29(43)34-26(19)38)18-12-24(42-8-6-2)22(10-16(18)4)32-14-20-27(39)35-30(44)36-28(20)40/h9-14,19-20H,5-8H2,1-4H3,(H2,33,34,37,38,43)(H2,35,36,39,40,44)
InChI key： BOXUXGGCKJNNRG-UHFFFAOYSA-N
SMILES： CCCOc1cc(c(C)cc1N=CC1C(=O)NC(=S)NC1=O)c1cc(OCCC)c(cc1C)N=CC1C(=O)NC(=S)NC1=O
Systematic name  (4)：
  • 5,5′-[[2,2′-ジメチル-5,5′-ビス(プロポキシ)-1,1′-ビフェニル-4,4′-ジイル]ビス(ニトリロメチリジン)]ビス[2,3-ジヒドロ-2-チオキソピリミジン-4,6(1H,5H)-ジオン]
  • 5,5′-[(2,2′-ジメチル-5,5′-ジプロポキシ-1,1′-ビフェニル-4,4′-ジイル)ビス(ニトリロメチリジン)]ビス(2-チオキソヘキサヒドロピリミジン-4,6-ジオン)
  • 5-{[(4'-{[(4,6-ジオキソ-2-スルファニリデン-1,3-ジアジナン-5-イル)メチリデン]アミノ}-2,2'-ジメチル-5,5'-ジプロポキシ-[1,1'-ビフェニル]-4-イル)イミノ]メチル}-2-スルファニリデン-1,3-ジアジナン-4,6-ジオン
  • 5-{[(4'-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-2,2'-dimethyl-5,5'-dipropoxy-[1,1'-biphenyl]-4-yl)imino]methyl}-2-sulfanylidene-1,3-diazinane-4,6-dione
Other name (2)：
  • 5,5′-[[2,2′-Dimethyl-5,5′-bis(propoxy)-1,1′-biphenyl-4,4′-diyl]bis(nitrilomethylidyne)]bis[2,3-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione]
  • 5,5′-[(2,2′-Dimethyl-5,5′-dipropoxy-1,1′-biphenyl-4,4′-diyl)bis(nitrilomethylidyne)]bis(2-thioxohexahydropyrimidine-4,6-dione)
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