N4-(7H-purin-6-yl)-N1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-(7H-purin-6-yl)-N1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]cyclohexane-1,4-diamine Openeye Name: N4-(7H-purin-6-yl)-N1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]cyclohexane-1,4-diamine CAS Name: N4-(7H-purin-6-yl)-N1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]cyclohexane-1,4-diamine IUPAC Name: 4-N-(7H-purin-6-yl)-1-N-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]cyclohexane-1,4-diamine Traditional Name: 7H-purin-6-yl-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]cyclohexyl]amine Formula: C20H19F3N8 MolecularWeight: 428.41367

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CC(CCC1NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H19F3N8/c21-20(22,23)15-6-5-13-14(31-15)7-8-24-17(13)29-11-1-3-12(4-2-11)30-19-16-18(26-9-25-16)27-10-28-19/h5-12H,1-4H2,(H,24,29)(H2,25,26,27,28,30)