2-(氧杂-4-基氧基)-5-[4-[4-[4-(氧杂环丁-3-基)哌嗪-1-基]苯胺基]-1,3,5-三嗪-2-基]苄腈(1893397-65-3)名称与标识符
名称
中文别名:
2-(氧杂-4-基氧基)-5-[4-[4-[4-(氧杂环丁-3-基)哌嗪-1-基]苯胺基]-1,3,5-三嗪-2-基]苄腈;
英文别名:
TBK1/IKKepsilon-IN-5;BDBM277845;TBK1/IKK;A-IN-1(compound 1);US10040781, Example 67;s8922;5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile;2-(oxan-4-yloxy)-5-[4-[4-[4- (oxetan-3-yl)piperazin-1- yl]anilino]-1,3,5-triazin-2- yl]benzonitrile;2-(Oxan-4-yloxy)-5-[4-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]-1,3,5-triazin-2-yl]benzonitrile;TBK1/IKKε-IN-5;EX-A5568;DA-78234;QUN97653;QYQFLAQHGHBIFA-UHFFFAOYSA-N;TBK1/IKK??-IN-5;HY-128679;SCHEMBL17631075;A-IN-5;CS-0097133;AKOS040759296;TBK1/IKKepsilon-IN-1(compound 1);2-(oxan-4-yloxy)-5-[4-({4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}amino)-1,3,5-triazin-2-yl]benzonitrile;1893397-65-3;MFCD32067990;D81056;BS-44977;
标识符
InChIKey:
QYQFLAQHGHBIFA-UHFFFAOYSA-N
Inchi:
1S/C28H31N7O3/c29-16-21-15-20(1-6-26(21)38-25-7-13-36-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)
SMILES:
O1C([H])([H])C([H])(C1([H])[H])N1C([H])([H])C([H])([H])N(C2C([H])=C([H])C(=C([H])C=2[H])N([H])C2=NC([H])=NC(C3C([H])=C([H])C(=C(C#N)C=3[H])OC3([H])C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=N2)C([H])([H])C1([H])[H]