Chem
J-GLOBAL ID：200907004722438936   Nikkaji number：J569.908H

AIT-82

4-[[3-[6-オキソ-1H-プリン-9(6H)-イル]プロピオニル]アミノ]安息香酸
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： C15H13N5O4
Molecular formula furigana： C15-H13-N5-O4
Molecular weight： 327.300
InChI： InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)
InChI key： JMPOIZCOJJMTHI-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(NC(=O)CCn2cnc3c2nc[nH]c3=O)cc1
Systematic name  (4)：
  • 4-[[3-[6-オキソ-1H-プリン-9(6H)-イル]プロピオニル]アミノ]安息香酸
  • 4-[[3-(1,6-ジヒドロ-6-オキソ-9H-プリン-9-イル)-1-オキソプロピル]アミノ]安息香酸
  • 4-[3-(6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)プロパンアミド]安息香酸
  • 4-[3-(6-oxo-6,9-dihydro-1H-purin-9-yl)propanamido]benzoic acid
Other name (4)：
  • AIT-82
  • 4-[[3-[6-Oxo-1H-purin-9(6H)-yl]propionyl]amino]benzoic acid
  • 4-[[3-(1,6-Dihydro-6-oxo-9H-purine-9-yl)-1-oxopropyl]amino]benzoic acid
  • AIT-082
Thsaurus map：
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