Chem
J-GLOBAL ID:200907077305984267   Nikkaji number:J2.354.685J

AEE-788

AEE-788
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: C27H32N6
Molecular formula furigana: C27-H32-N6
Molecular weight: 440.595
InChI: InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
InChI key: OONFNUWBHFSNBT-HXUWFJFHSA-N
SMILES: CCN1CCN(Cc2ccc(cc2)c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
Systematic name  (3):
  • N-[(R)-1-フェニルエチル]-6-[4-[(4-エチル-1-ピペラジニル)メチル]フェニル]-7H-ピロロ[2,3-d]ピリミジン-4-アミン
  • 6-{4-[(4-エチルピペラジン-1-イル)メチル]フェニル}-N-[(1R)-1-フェニルエチル]-7H-ピロロ[2,3-d]ピリミジン-4-アミン
  • 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Other name (2):
  • N-[(R)-1-Phenylethyl]-6-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-4-amine
  • AEE-788
CAS registry number: 497839-62-0
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