Chem
J-GLOBAL ID：200907024334074648   Nikkaji number：J1.510.093A

4-[α-(Dimethylamino)-4-chlorobenzylideneamino]-5,6-dihydro[1]benzoxepino[5,4-d]pyrimidine

4-[α-(ジメチルアミノ)-4-クロロベンジリデンアミノ]-5,6-ジヒドロ[1]ベンゾオキセピノ[5,4-d]ピリミジン
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： C21H19ClN4O
Molecular formula furigana： C21-H19-CL-N4-O
Molecular weight： 378.860
InChI： InChI=1S/C21H19ClN4O/c1-26(2)21(14-7-9-15(22)10-8-14)25-20-17-11-12-27-18-6-4-3-5-16(18)19(17)23-13-24-20/h3-10,13H,11-12H2,1-2H3
InChI key： WWRNCDGNAACXKG-UHFFFAOYSA-N
SMILES： CN(C)C(=Nc1ncnc2c1CCOc1ccccc21)c1ccc(Cl)cc1
Systematic name  (3)：
  • 4-[α-(ジメチルアミノ)-4-クロロベンジリデンアミノ]-5,6-ジヒドロ[1]ベンゾオキセピノ[5,4-d]ピリミジン
  • 4-クロロ-N,N-ジメチル-N'-{10-オキサ-3,5-ジアザトリシクロ[9.4.0.02,7]ペンタデカ-1(15),2(7),3,5,11,13-ヘキサエン-6-イル}ベンゼン-1-カルボキシミドアミド
  • 4-chloro-N,N-dimethyl-N'-{10-oxa-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl}benzene-1-carboximidamide
Other name (1)：
  • 4-[α-(Dimethylamino)-4-chlorobenzylideneamino]-5,6-dihydro[1]benzoxepino[5,4-d]pyrimidine
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