Chem
J-GLOBAL ID：200907002133069740   Nikkaji number：J1.728.285I

Butyric acid (R)-1-[4-[2α,6α-dimethyl-4-(2-acetyl-4-pyrimidinyl)piperazino]-2-pyrimidinyl]ethyl ester

酪酸(R)-1-[4-[2α,6α-ジメチル-4-(2-アセチル-4-ピリミジニル)ピペラジノ]-2-ピリミジニル]エチル
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： C22H30N6O3
Molecular formula furigana： C22-H30-N6-O3
Molecular weight： 426.521
InChI： InChI=1S/C22H30N6O3/c1-6-7-20(30)31-17(5)22-24-11-9-19(26-22)28-14(2)12-27(13-15(28)3)18-8-10-23-21(25-18)16(4)29/h8-11,14-15,17H,6-7,12-13H2,1-5H3/t14-,15+,17-/m1/s1
InChI key： KHTIYAQULVQIFK-HLLBOEOZSA-N
SMILES： CCCC(=O)O[C@H](C)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)C(=O)C
Systematic name  (3)：
  • 酪酸(R)-1-[4-[2α,6α-ジメチル-4-(2-アセチル-4-ピリミジニル)ピペラジノ]-2-ピリミジニル]エチル
  • (1R)-1-{4-[(2R,6S)-4-(2-アセチルピリミジン-4-イル)-2,6-ジメチルピペラジン-1-イル]ピリミジン-2-イル}エチル ブタノアート
  • (1R)-1-{4-[(2R,6S)-4-(2-acetylpyrimidin-4-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl}ethyl butanoate
Other name (1)：
  • Butyric acid (R)-1-[4-[2α,6α-dimethyl-4-(2-acetyl-4-pyrimidinyl)piperazino]-2-pyrimidinyl]ethyl ester
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