6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N4-(1H-indazol-5-yl)pyrimidine-4,5-diamine

Systemtic Name: 6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N4-(1H-indazol-5-yl)pyrimidine-4,5-diamine Openeye Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N4-(1H-indazol-5-yl)pyrimidine-4,5-diamine CAS Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N4-(1H-indazol-5-yl)pyrimidine-4,5-diamine IUPAC Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-N-(1H-indazol-5-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-(1H-indazol-5-yl)amine Formula: C18H12F4N6 MolecularWeight: 388.321693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)F)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)NN=C4)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)F)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)NN=C4)N

InChI

InChI=1S/C18H12F4N6/c19-13-6-10(18(20,21)22)1-3-12(13)16-15(23)17(25-8-24-16)27-11-2-4-14-9(5-11)7-26-28-14/h1-8H,23H2,(H,26,28)(H,24,25,27)