6-ethyl-5-[4-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-(4-triflylbenzyl)amine Formula: C20H20F3N5O2S MolecularWeight: 451.46531

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2S/c1-2-16-17(18(24)28-19(25)27-16)13-5-7-14(8-6-13)26-11-12-3-9-15(10-4-12)31(29,30)20(21,22)23/h3-10,26H,2,11H2,1H3,(H4,24,25,27,28)