Chem
J-GLOBAL ID：202307015812969983   Nikkaji number：J3.789.143F

5-ブロモ-N4-[2-(ジメチルホスホリル)フェニル]-N2-{2-メトキシ-5-メチル-4-[4-(モルホリン-4-イル)ピペリジン-1-イル]フェニル}ピリミジン-2,4-ジアミン

5-ブロモ-N4-[2-(ジメチルホスホリル)フェニル]-N2-{2-メトキシ-5-メチル-4-[4-(モルホリン-4-イル)ピペリジン-1-イル]フェニル}ピリミジン-2,4-ジアミン
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： C29H38BrN6O3P
Molecular formula furigana： C29-H38-BR-N6-O3-P
Molecular weight： 629.540
InChI： InChI=1S/C29H38BrN6O3P/c1-20-17-24(26(38-2)18-25(20)36-11-9-21(10-12-36)35-13-15-39-16-14-35)33-29-31-19-22(30)28(34-29)32-23-7-5-6-8-27(23)40(3,4)37/h5-8,17-19,21H,9-16H2,1-4H3,(H2,31,32,33,34)
InChI key： SLZIQBXMUQVMCW-UHFFFAOYSA-N
SMILES： c1(cc(c(cc1Nc1nc(c(cn1)Br)Nc1c(cccc1)P(=O)(C)C)C)N1CCC(CC1)N1CCOCC1)OC
Systematic name  (2)：
  • 5-ブロモ-N4-[2-(ジメチルホスホリル)フェニル]-N2-{2-メトキシ-5-メチル-4-[4-(モルホリン-4-イル)ピペリジン-1-イル]フェニル}ピリミジン-2,4-ジアミン
  • 5-bromo-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-5-methyl-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
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