Chem
J-GLOBAL ID：200907080194118299   Nikkaji number：J2.217.859H

1-(2,4,6-Trichlorophenyl)-3-ethyl-6-(3,4-dihydroxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one

1-(2,4,6-トリクロロフェニル)-3-エチル-6-(3,4-ジヒドロキシベンジル)-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-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： C20H15Cl3N4O3
Molecular formula furigana： C20-H15-CL3-N4-O3
Molecular weight： 465.720
InChI： InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
InChI key： OPRAIFVPXXVXDL-UHFFFAOYSA-N
SMILES： CCc1nn(c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12
Systematic name  (3)：
  • 1-(2,4,6-トリクロロフェニル)-3-エチル-6-(3,4-ジヒドロキシベンジル)-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-オン
  • 6-[(3,4-ジヒドロキシフェニル)メチル]-3-エチル-1-(2,4,6-トリクロロフェニル)-1H,4H,5H-ピラゾロ[3,4-d]ピリミジン-4-オン
  • 6-[(3,4-dihydroxyphenyl)methyl]-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Other name (1)：
  • 1-(2,4,6-Trichlorophenyl)-3-ethyl-6-(3,4-dihydroxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one
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