Chem
J-GLOBAL ID：200907031013418929   Nikkaji number：J1.972.795E

N-[3-[4-(3-Pyridinyl)pyrimidine-2-ylamino]-4-methylphenyl]-4-[4-methyl(2,2,3,3,5,5,6,6-2H8)piperazine-1-ylmethyl]benzamide

N-[3-[4-(3-ピリジニル)ピリミジン-2-イルアミノ]-4-メチルフェニル]-4-[4-メチル(2,2,3,3,5,5,6,6-2H8)ピペラジン-1-イルメチル]ベンズアミド
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： C29H23[2H]8N7O
Molecular formula furigana： C29-H31-N7-O
Molecular weight： 501.664
InChI： InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i14D2,15D2,16D2,17D2
InChI key： KTUFNOKKBVMGRW-AZGHYOHESA-N
SMILES： C1([2H])([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)c3cccnc3)c2)C1([2H])[2H]
Systematic name  (4)：
  • N-[3-[[4-(3-ピリジニル)ピリミジン-2-イル]アミノ]-4-メチルフェニル]-4-(4-メチル(2,2,3,3,5,5,6,6-2H8)ピペラジン-1-イルメチル)ベンズアミド
  • N-[3-[4-(3-ピリジニル)ピリミジン-2-イルアミノ]-4-メチルフェニル]-4-[4-メチル(2,2,3,3,5,5,6,6-2H8)ピペラジン-1-イルメチル]ベンズアミド
  • 4-{[4-メチル(2,2,3,3,5,5,6,6-2H8)ピペラジン-1-イル]メチル}-N-(4-メチル-3-{[4-(ピリジン-3-イル)ピリミジン-2-イル]アミノ}フェニル)ベンズアミド
  • 4-{[4-methyl(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Other name (2)：
  • N-[3-[[4-(3-Pyridinyl)pyrimidine-2-yl]amino]-4-methylphenyl]-4-(4-methyl(2,2,3,3,5,5,6,6-2H8)piperazine-1-ylmethyl)benzamide
  • N-[3-[4-(3-Pyridinyl)pyrimidine-2-ylamino]-4-methylphenyl]-4-[4-methyl(2,2,3,3,5,5,6,6-2H8)piperazine-1-ylmethyl]benzamide
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