2-[[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]amino]-N-[5-[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]-2-methyl-phenyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]amino]-N-[5-[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]-2-methyl-phenyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]amino]-N-[5-[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methyl-phenyl]thiazole-5-carboxamide CAS Name: 2-[[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino]-N-[5-[[[3-(4-ethyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]-2-methylphenyl]-5-thiazolecarboxamide IUPAC Name: 2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-[5-[[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-[[6-(4-ethylpiperazino)-2-methyl-pyrimidin-4-yl]amino]-N-[5-[[3-(4-ethylpiperazino)-5-(trifluoromethyl)benzoyl]amino]-2-methyl-phenyl]thiazole-5-carboxamide Formula: C36H43F3N10O2S MolecularWeight: 736.85263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CN=C(S4)NC5=NC(=NC(=C5)N6CCN(CC6)CC)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CN=C(S4)NC5=NC(=NC(=C5)N6CCN(CC6)CC)C

InChI

InChI=1S/C36H43F3N10O2S/c1-5-46-9-13-48(14-10-46)28-18-25(17-26(19-28)36(37,38)39)33(50)43-27-8-7-23(3)29(20-27)44-34(51)30-22-40-35(52-30)45-31-21-32(42-24(4)41-31)49-15-11-47(6-2)12-16-49/h7-8,17-22H,5-6,9-16H2,1-4H3,(H,43,50)(H,44,51)(H,40,41,42,45)