Chem
J-GLOBAL ID：201507011742096202   Nikkaji number：J3.394.128E

(3S)-N-(4-Methylbenzyl)-1-[2-(3,4,5-trimethoxyphenylamino)pyrimidine-4-yl]piperidine-3-carboxamide

(3S)-N-(4-メチルベンジル)-1-[2-(3,4,5-トリメトキシフェニルアミノ)ピリミジン-4-イル]ピペリジン-3-カルボアミド
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： C27H33N5O4
Molecular formula furigana： C27-H33-N5-O4
Molecular weight： 491.592
InChI： InChI=1S/C27H33N5O4/c1-18-7-9-19(10-8-18)16-29-26(33)20-6-5-13-32(17-20)24-11-12-28-27(31-24)30-21-14-22(34-2)25(36-4)23(15-21)35-3/h7-12,14-15,20H,5-6,13,16-17H2,1-4H3,(H,29,33)(H,28,30,31)/t20-/m0/s1
InChI key： BAQAWVMHTOQJCI-FQEVSTJZSA-N
SMILES： COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC
Systematic name  (3)：
  • (3S)-N-(4-メチルベンジル)-1-[2-(3,4,5-トリメトキシフェニルアミノ)ピリミジン-4-イル]ピペリジン-3-カルボアミド
  • (3S)-N-[(4-メチルフェニル)メチル]-1-{2-[(3,4,5-トリメトキシフェニル)アミノ]ピリミジン-4-イル}ピペリジン-3-カルボキサミド
  • (3S)-N-[(4-methylphenyl)methyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Other name (1)：
  • (3S)-N-(4-Methylbenzyl)-1-[2-(3,4,5-trimethoxyphenylamino)pyrimidine-4-yl]piperidine-3-carboxamide
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