Chem
J-GLOBAL ID：200907071119762531   Nikkaji number：J596.145I

E-3040

E-3040
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： C16H17N3OS
Molecular formula furigana： C16-H17-N3-O-S
Molecular weight： 299.390
InChI： InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)
InChI key： IONAQTGMWFXHIX-UHFFFAOYSA-N
SMILES： CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Systematic name  (6)：
  • 2-メチルアミノ-4-(3-ピリジニルメチル)-5,7-ジメチルベンゾチアゾール-6-オール
  • 5,7-ジメチル-2-(メチルアミノ)-4-(3-ピリジニルメチル)ベンゾチアゾール-6-オール
  • 2-(メチルアミノ)-5,7-ジメチル-4-(3-ピリジニルメチル)ベンゾチアゾール-6-オール
  • 2-(メチルアミノ)-5,7-ジメチル-4-(3-ピリジルメチル)ベンゾチアゾール-6-オール
  • 5,7-ジメチル-2-(メチルアミノ)-4-[(ピリジン-3-イル)メチル]-1,3-ベンゾチアゾール-6-オール
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Other name (6)：
  • E-3040
  • 2-(Methylamino)-5,7-dimethyl-4-(3-pyridinylmethyl)benzothiazol-6-ol
  • 5,7-Dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)benzothiazol-6-ol
  • 2-Methylamino-4-(3-pyridinylmethyl)-5,7-dimethylbenzothiazol-6-ol
  • 2-(Methylamino)-5,7-dimethyl-4-(3-pyridylmethyl)benzothiazole-6-ol
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CAS registry number： 145096-30-6
KEGG COMPOUND： C11593
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