Chem
J-GLOBAL ID:200907026360110655   Nikkaji number:J2.624.888D

CHIR-98014

N2-(2-{[4-(2,4-ジクロロフェニル)-5-(1H-イミダゾール-1-イル)ピリミジン-2-イル]アミノ}エチル)-5-ニトロピリジン-2,6-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: C20H17Cl2N8[N+]O[O-]
Molecular formula furigana: C20-H17-CL2-N9-O2
Molecular weight: 486.320
InChI: InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)
InChI key: MDZCSIDIPDZWKL-UHFFFAOYSA-N
SMILES: Nc1nc(NCCNc2ncc(c(n2)c2ccc(Cl)cc2Cl)n2ccnc2)ccc1[N+](=O)[O-]
Systematic name  (3):
  • 2-[[2-[(5-ニトロ-6-アミノピリジン-2-イル)アミノ]エチル]アミノ]-4-(2,4-ジクロロフェニル)-5-(1H-イミダゾール-1-イル)ピリミジン
  • N2-(2-{[4-(2,4-ジクロロフェニル)-5-(1H-イミダゾール-1-イル)ピリミジン-2-イル]アミノ}エチル)-5-ニトロピリジン-2,6-ジアミン
  • N2-(2-{[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-5-nitropyridine-2,6-diamine
Other name (2):
  • 2-[[2-[(5-Nitro-6-aminopyridine-2-yl)amino]ethyl]amino]-4-(2,4-dichlorophenyl)-5-(1H-imidazole-1-yl)pyrimidine
  • CHIR-98014
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