6,9-bis[3-(trifluoromethyl)phenyl]purine-2,8-diamine

Systemtic Name: 6,9-bis[3-(trifluoromethyl)phenyl]purine-2,8-diamine Openeye Name: 6,9-bis[3-(trifluoromethyl)phenyl]purine-2,8-diamine CAS Name: 6,9-bis[3-(trifluoromethyl)phenyl]purine-2,8-diamine IUPAC Name: 6,9-bis[3-(trifluoromethyl)phenyl]purine-2,8-diamine Traditional Name: [2-amino-6,9-bis[3-(trifluoromethyl)phenyl]purin-8-yl]amine Formula: C19H12F6N6 MolecularWeight: 438.329199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=NC(=N2)N)N(C(=N3)N)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=C3C(=NC(=N2)N)N(C(=N3)N)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H12F6N6/c20-18(21,22)10-4-1-3-9(7-10)13-14-15(30-16(26)28-13)31(17(27)29-14)12-6-2-5-11(8-12)19(23,24)25/h1-8H,(H2,27,29)(H2,26,28,30)