Chem
J-GLOBAL ID：200907026926614117   Nikkaji number：J1.284.107H

PBTA-3

PBTA-3
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： C17H18BrClN6O3
Molecular formula furigana： C17-H18-BR-CL-N6-O3
Molecular weight： 469.720
InChI： InChI=1S/C17H18BrClN6O3/c1-8(27)22-11-6-12(21-3-4-26)14(28-2)7-13(11)25-23-16-9(18)5-10(20)15(19)17(16)24-25/h5-7,21,26H,3-4,20H2,1-2H3,(H,22,27)
InChI key： FWVHBJPHUBUTLM-UHFFFAOYSA-N
SMILES： COc1cc(c(NC(=O)C)cc1NCCO)n1nc2c(Br)cc(N)c(Cl)c2n1
Systematic name  (4)：
  • 2-[2-(アセチルアミノ)-4-(2-ヒドロキシエチルアミノ)-5-メトキシフェニル]-7-ブロモ-4-クロロ-2H-ベンゾトリアゾール-5-アミン
  • N-(2-(4-クロロ-5-アミノ-7-ブロモ-2H-ベンゾトリアゾール-2-イル)-4-メトキシ-5-(2-ヒドロキシエチルアミノ)フェニル)アセトアミド
  • N-[2-(5-アミノ-7-ブロモ-4-クロロ-2H-1,2,3-ベンゾトリアゾール-2-イル)-5-[(2-ヒドロキシエチル)アミノ]-4-メトキシフェニル]アセトアミド
  • N-[2-(5-amino-7-bromo-4-chloro-2H-1,2,3-benzotriazol-2-yl)-5-[(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
Other name (3)：
  • 2-[2-(Acetylamino)-4-(2-hydroxyethylamino)-5-methoxyphenyl]-7-bromo-4-chloro-2H-benzotriazole-5-amine
  • PBTA-3
  • N-(2-(4-Chloro-5-amino-7-bromo-2H-benzotriazole-2-yl)-4-methoxy-5-(2-hydroxyethylamino)phenyl)acetamide
Thsaurus map：
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