N4-(1H-indazol-5-yl)-N2-[[4-(trifluoromethyloxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(1H-indazol-5-yl)-N2-[[4-(trifluoromethyloxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine Openeye Name: N4-(1H-indazol-5-yl)-N2-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine CAS Name: N4-(1H-indazol-5-yl)-N2-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine Traditional Name: 1H-indazol-5-yl-[2-[[4-(trifluoromethoxy)benzyl]amino]thieno[3,2-d]pyrimidin-4-yl]amine Formula: C21H15F3N6OS MolecularWeight: 456.44361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)OC(F)(F)F

InChI

InChI=1S/C21H15F3N6OS/c22-21(23,24)31-15-4-1-12(2-5-15)10-25-20-28-17-7-8-32-18(17)19(29-20)27-14-3-6-16-13(9-14)11-26-30-16/h1-9,11H,10H2,(H,26,30)(H2,25,27,28,29)