Chem
J-GLOBAL ID：201707016326628596   Nikkaji number：J3.652.568A

CD-161

4-[6-メトキシ-2-メチル-4-(キノリン-4-イル)-9H-ピリミド[4,5-b]インドール-7-イル]-3,5-ジメチルイソオキサゾール
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： C26H21N5O2
Molecular formula furigana： C26-H21-N5-O2
Molecular weight： 435.487
InChI： InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
InChI key： AEANZCXROGPSBY-UHFFFAOYSA-N
SMILES： COc1cc2c(cc1c1c(C)noc1C)[nH]c1nc(C)nc(c3ccnc4ccccc34)c21
Systematic name  (3)：
  • 4-[6-メトキシ-2-メチル-4-(キノリン-4-イル)-9H-ピリミド[4,5-b]インドール-7-イル]-3,5-ジメチルイソオキサゾール
  • 4-[7-(3,5-ジメチル-1,2-オキサゾール-4-イル)-6-メトキシ-2-メチル-9H-ピリミド[4,5-b]インドール-4-イル]キノリン
  • 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinoline
Other name (2)：
  • 4-[6-Methoxy-2-methyl-4-(quinoline-4-yl)-9H-pyrimido[4,5-b]indole-7-yl]-3,5-dimethylisoxazole
  • CD-161
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