Chem
J-GLOBAL ID：200907075255712950   Nikkaji number：J1.510.092C

4-[α-(Dimethylamino)-3-methylbenzylideneamino]-5,6-dihydro[1]benzoxepino[5,4-d]pyrimidine

4-[α-(ジメチルアミノ)-3-メチル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： C22H22N4O
Molecular formula furigana： C22-H22-N4-O
Molecular weight： 358.445
InChI： InChI=1S/C22H22N4O/c1-15-7-6-8-16(13-15)22(26(2)3)25-21-18-11-12-27-19-10-5-4-9-17(19)20(18)23-14-24-21/h4-10,13-14H,11-12H2,1-3H3
InChI key： NOPQMILJZPNKOT-UHFFFAOYSA-N
SMILES： CN(C)C(=Nc1ncnc2c1CCOc1ccccc21)c1cccc(C)c1
Systematic name  (3)：
  • 4-[α-(ジメチルアミノ)-3-メチル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
  • N,N,3-トリメチル-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
  • N,N,3-trimethyl-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)-3-methylbenzylideneamino]-5,6-dihydro[1]benzoxepino[5,4-d]pyrimidine
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