3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide; 2,2,2-trifluoroacetic acid CAS Name: 3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-3-pyrrolidinyl]amino]-1,3,5-triazin-2-yl]amino]-4-methylbenzamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]amino]-4-methylbenzamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-[[4-[2-(4-fluorophenyl)ethylamino]-6-[[(3R)-pyrrolidin-3-yl]amino]-s-triazin-2-yl]amino]-4-methyl-benzamide; 2,2,2-trifluoroacetic acid Formula: C25H28F4N8O3 MolecularWeight: 564.535233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)NCCC3=CC=C(C=C3)F)NC4CCNC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)NCCC3=CC=C(C=C3)F)N[C@@H]4CCNC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H27FN8O.C2HF3O2/c1-14-2-5-16(20(25)33)12-19(14)29-23-31-21(27-11-8-15-3-6-17(24)7-4-15)30-22(32-23)28-18-9-10-26-13-18;3-2(4,5)1(6)7/h2-7,12,18,26H,8-11,13H2,1H3,(H2,25,33)(H3,27,28,29,30,31,32);(H,6,7)/t18-;/m1./s1