Chem
J-GLOBAL ID：200907031631982517   Nikkaji number：J2.770.487E

N-(3-Fluorophenyl)-3-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propyloxy]quinazoline-4-yl]amino]-1H-pyrazole-5-acetamide

N-(3-フルオロフェニル)-3-[[7-[3-[エチル[2-(ホスホノオキシ)エチル]アミノ]プロピルオキシ]キナゾリン-4-イル]アミノ]-1H-ピラゾール-5-アセトアミド
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： C26H31FN7O6P
Molecular formula furigana： C26-H31-F-N7-O6-P
Molecular weight： 587.549
InChI： InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
InChI key： GBJVVSCPOBPEIT-UHFFFAOYSA-N
SMILES： CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O
Systematic name  (3)：
  • N-(3-フルオロフェニル)-3-[[7-[3-[エチル[2-(ホスホノオキシ)エチル]アミノ]プロピルオキシ]キナゾリン-4-イル]アミノ]-1H-ピラゾール-5-アセトアミド
  • (2-{エチル[3-({4-[(5-{[(3-フルオロフェニル)カルバモイル]メチル}-1H-ピラゾール-3-イル)アミノ]キナゾリン-7-イル}オキシ)プロピル]アミノ}エトキシ)ホスホン酸
  • (2-{ethyl[3-({4-[(5-{[(3-fluorophenyl)carbamoyl]methyl}-1H-pyrazol-3-yl)amino]quinazolin-7-yl}oxy)propyl]amino}ethoxy)phosphonic acid
Other name (1)：
  • N-(3-Fluorophenyl)-3-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propyloxy]quinazoline-4-yl]amino]-1H-pyrazole-5-acetamide
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