6-ethyl-5-[3-oxidanyl-2-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-oxidanyl-2-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-hydroxy-2-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-hydroxy-2-[4-(trifluoromethyl)phenyl]-5-benzimidazolyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-hydroxy-2-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[3-hydroxy-2-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidin-4-yl]amine Formula: C20H17F3N6O MolecularWeight: 414.38379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N6O/c1-2-13-16(17(24)28-19(25)27-13)11-5-8-14-15(9-11)29(30)18(26-14)10-3-6-12(7-4-10)20(21,22)23/h3-9,30H,2H2,1H3,(H4,24,25,27,28)