Chem
J-GLOBAL ID：201307012140494535   Nikkaji number：J3.215.206F

4-(3-(1-Methyl-6-oxo-1,6-dihydro-9H-purine-9-yl)propanoylamino)benzoic acid potassium salt

4-(3-(1-メチル-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)プロパノイルアミノ)安息香酸カリウム
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： C16H14KN5O4
Molecular formula furigana： C16-H14-K-N5-O4
Molecular weight： 379.417
InChI： InChI=1S/C16H15N5O4.K/c1-20-8-18-14-13(15(20)23)17-9-21(14)7-6-12(22)19-11-4-2-10(3-5-11)16(24)25;/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1
InChI key： OJEZHGJDLADDRF-UHFFFAOYSA-M
SMILES： Cn1cnc2n(CCC(=O)Nc3ccc(cc3)C(=O)O[K])cnc2c1=O
Systematic name  (3)：
  • 4-(3-(1-メチル-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)プロパノイルアミノ)安息香酸カリウム
  • カリウム 4-[3-(1-メチル-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)プロパンアミド]ベンゾアート
  • potassium 4-[3-(1-methyl-6-oxo-6,9-dihydro-1H-purin-9-yl)propanamido]benzoate
Other name (1)：
  • 4-(3-(1-Methyl-6-oxo-1,6-dihydro-9H-purine-9-yl)propanoylamino)benzoic acid potassium salt
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