Chem
J-GLOBAL ID：201807017881185059   Nikkaji number：J3.683.478A

2-[4-[(3-Butynyl)carbamoylmethylamino]phenyl]-N-[2-[2-[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazinyl]ethoxy]ethoxy]ethyl]-2H-tetrazole-5-carboxamide

2-[4-[(3-ブチニル)カルバモイルメチルアミノ]フェニル]-N-[2-[2-[2-[4-[6-[[5-[(2-クロロ-6-メチルフェニル)カルバモイル]-2-チアゾリル]アミノ]-2-メチル-4-ピリミジニル]-1-ピペラジニル]エトキシ]エトキシ]エチル]-2H-テトラゾール-5-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： C40H47ClN14O5S
Molecular formula furigana： C40-H47-CL-N14-O5-S
Molecular weight： 871.420
InChI： InChI=1S/C40H47ClN14O5S/c1-4-5-13-42-35(56)26-44-29-9-11-30(12-10-29)55-51-37(50-52-55)39(58)43-14-20-59-22-23-60-21-19-53-15-17-54(18-16-53)34-24-33(46-28(3)47-34)48-40-45-25-32(61-40)38(57)49-36-27(2)7-6-8-31(36)41/h1,6-12,24-25,44H,5,13-23,26H2,2-3H3,(H,42,56)(H,43,58)(H,49,57)(H,45,46,47,48)
InChI key： GARRZAQJUNGDST-UHFFFAOYSA-N
SMILES： Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCOCCOCCNC(=O)c2nnn(n2)c2ccc(NCC(=O)NCCC#C)cc2)CC1
Systematic name  (3)：
  • 2-[4-[(3-ブチニル)カルバモイルメチルアミノ]フェニル]-N-[2-[2-[2-[4-[6-[[5-[(2-クロロ-6-メチルフェニル)カルバモイル]-2-チアゾリル]アミノ]-2-メチル-4-ピリミジニル]-1-ピペラジニル]エトキシ]エトキシ]エチル]-2H-テトラゾール-5-カルボアミド
  • 2-[4-({[(ブタ-3-イン-1-イル)カルバモイル]メチル}アミノ)フェニル]-N-{2-[2-(2-{4-[6-({5-[(2-クロロ-6-メチルフェニル)カルバモイル]-1,3-チアゾール-2-イル}アミノ)-2-メチルピリミジン-4-イル]ピペラジン-1-イル}エトキシ)エトキシ]エチル}-2H-1,2,3,4-テトラゾール-5-カルボキサミド
  • 2-[4-({[(but-3-yn-1-yl)carbamoyl]methyl}amino)phenyl]-N-{2-[2-(2-{4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]piperazin-1-yl}ethoxy)ethoxy]ethyl}-2H-1,2,3,4-tetrazole-5-carboxamide
Other name (1)：
  • 2-[4-[(3-Butynyl)carbamoylmethylamino]phenyl]-N-[2-[2-[2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazinyl]ethoxy]ethoxy]ethyl]-2H-tetrazole-5-carboxamide
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