N1'-[5-[2-(phenethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,1-diamine trihydrochloride

Systemtic Name: N1'-[5-[2-(phenethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,1-diamine trihydrochloride Openeye Name: N1'-[5-[2-(phenethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,1-diamine trihydrochloride CAS Name: N1'-[5-[2-(phenethylamino)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-3-pyridazinyl]ethane-1,1-diamine trihydrochloride IUPAC Name: 1-N'-[5-[2-(phenethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]ethane-1,1-diamine trihydrochloride Traditional Name: 1-aminoethyl-[5-[2-(phenethylamino)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]amine trihydrochloride Formula: C25H27Cl3F3N7 MolecularWeight: 588.88299

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)NC1=NN=C(C(=C1)C2=NC(=NC=C2)NCCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F.Cl.Cl.Cl

Isomeric SMILES

CC(N)NC1=NN=C(C(=C1)C2=NC(=NC=C2)NCCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F.Cl.Cl.Cl

InChI

InChI=1S/C25H24F3N7.3ClH/c1-16(29)32-22-15-20(23(35-34-22)18-8-5-9-19(14-18)25(26,27)28)21-11-13-31-24(33-21)30-12-10-17-6-3-2-4-7-17;;;/h2-9,11,13-16H,10,12,29H2,1H3,(H,32,34)(H,30,31,33);3*1H