Chem
J-GLOBAL ID:201307039609531262   Nikkaji number:J3.186.589A

5-(3-Nitrophenyl)-8,8-dimethyl-10-[9-(2-hydroxy-3-phenoxypropyl)-9H-purine-6-yl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione

5-(3-ニトロフェニル)-8,8-ジメチル-10-[9-(2-ヒドロキシ-3-フェノキシプロピル)-9H-プリン-6-イル]-5,8,9,10-テトラヒドロピリミド[4,5-b]キノリン-2,4,6(1H,3H,7H)-トリオン
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: C33H30N7[N+]O6[O-]
Molecular formula furigana: C33-H30-N8-O7
Molecular weight: 650.652
InChI: InChI=1S/C33H30N8O7/c1-33(2)12-22-25(23(43)13-33)24(18-7-6-8-19(11-18)41(46)47)26-28(37-32(45)38-31(26)44)40(22)30-27-29(34-16-35-30)39(17-36-27)14-20(42)15-48-21-9-4-3-5-10-21/h3-11,16-17,20,24,42H,12-15H2,1-2H3,(H2,37,38,44,45)
InChI key: IRDYMNGIWZOYNN-UHFFFAOYSA-N
SMILES: CC1(C)CC(=O)C2=C(C1)N(c1[nH]c(=O)[nH]c(=O)c1C2c1cccc(c1)[N+](=O)[O-])c1ncnc2n(CC(O)COc3ccccc3)cnc12
Systematic name  (3):
  • 5-(3-ニトロフェニル)-8,8-ジメチル-10-[9-(2-ヒドロキシ-3-フェノキシプロピル)-9H-プリン-6-イル]-5,8,9,10-テトラヒドロピリミド[4,5-b]キノリン-2,4,6(1H,3H,7H)-トリオン
  • 10-[9-(2-ヒドロキシ-3-フェノキシプロピル)-9H-プリン-6-イル]-8,8-ジメチル-5-(3-ニトロフェニル)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-ピリミド[4,5-b]キノリン-2,4,6-トリオン
  • 10-[9-(2-hydroxy-3-phenoxypropyl)-9H-purin-6-yl]-8,8-dimethyl-5-(3-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
Other name (1):
  • 5-(3-Nitrophenyl)-8,8-dimethyl-10-[9-(2-hydroxy-3-phenoxypropyl)-9H-purine-6-yl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
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