Chem
J-GLOBAL ID：200907035517177456   Nikkaji number：J1.018.761C

2-[4-Oxo-2-(allylbenzylamino)-4H-pyrido[1,2-a]pyrimidine-3-ylmethylene]malonic acid diethyl ester

2-[4-オキソ-2-(アリルベンジルアミノ)-4H-ピリド[1,2-a]ピリミジン-3-イルメチレン]マロン酸ジエチル
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： C26H27N3O5
Molecular formula furigana： C26-H27-N3-O5
Molecular weight： 461.518
InChI： InChI=1S/C26H27N3O5/c1-4-15-28(18-19-12-8-7-9-13-19)23-20(24(30)29-16-11-10-14-22(29)27-23)17-21(25(31)33-5-2)26(32)34-6-3/h4,7-14,16-17H,1,5-6,15,18H2,2-3H3
InChI key： VFQJHNRFTNWCQU-UHFFFAOYSA-N
SMILES： CCOC(=O)C(=Cc1c(nc2ccccn2c1=O)N(CC=C)Cc1ccccc1)C(=O)OCC
Systematic name  (4)：
  • 2-(アリルベンジルアミノ)-3-[2-(エトキシカルボニル)-3-オキソ-3-エトキシ-1-プロペニル]-4H-ピリド[1,2-a]ピリミジン-4-オン
  • 2-[4-オキソ-2-(アリルベンジルアミノ)-4H-ピリド[1,2-a]ピリミジン-3-イルメチレン]マロン酸ジエチル
  • 1,3-ジエチル 2-({2-[ベンジル(プロパ-2-エン-1-イル)アミノ]-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル}メチリデン)プロパンジオアート
  • 1,3-diethyl 2-({2-[benzyl(prop-2-en-1-yl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)propanedioate
Other name (2)：
  • 2-(Allylbenzylamino)-3-[2-(ethoxycarbonyl)-3-oxo-3-ethoxy-1-propenyl]-4H-pyrido[1,2-a]pyrimidine-4-one
  • 2-[4-Oxo-2-(allylbenzylamino)-4H-pyrido[1,2-a]pyrimidine-3-ylmethylene]malonic acid diethyl ester
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