Chem
J-GLOBAL ID：200907068564685430   Nikkaji number：J564.418F

4-[4-[4-Nitrophenyl]piperazino]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

4-[4-[4-ニトロフェニル]ピペラジノ]-7,8-ジメトキシ-5H-ピリミド[5,4-b]インドール
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： C22H22N5[N+]O3[O-]
Molecular formula furigana： C22-H22-N6-O4
Molecular weight： 434.456
InChI： InChI=1S/C22H22N6O4/c1-31-18-11-16-17(12-19(18)32-2)25-21-20(16)23-13-24-22(21)27-9-7-26(8-10-27)14-3-5-15(6-4-14)28(29)30/h3-6,11-13,25H,7-10H2,1-2H3
InChI key： ZWKBOKGIEYUQAB-UHFFFAOYSA-N
SMILES： COc1cc2[nH]c3c(ncnc3c2cc1OC)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-[4-[4-ニトロフェニル]ピペラジノ]-7,8-ジメトキシ-5H-ピリミド[5,4-b]インドール
  • 1-{7,8-ジメトキシ-5H-ピリミド[5,4-b]インドール-4-イル}-4-(4-ニトロフェニル)ピペラジン
  • 1-{7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}-4-(4-nitrophenyl)piperazine
Other name (1)：
  • 4-[4-[4-Nitrophenyl]piperazino]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
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