N8-(2-chlorophenyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine

Systemtic Name: N8-(2-chlorophenyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine Openeye Name: N8-(2-chlorophenyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine CAS Name: N8-(2-chlorophenyl)-N6-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine IUPAC Name: 8-N-(2-chlorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine Traditional Name: [8-(2-chloroanilino)-7H-purin-6-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C18H12ClF3N6 MolecularWeight: 404.77629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC3=C(N2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC3=C(N2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)26-17-27-14-15(23-9-24-16(14)28-17)25-11-7-5-10(6-8-11)18(20,21)22/h1-9H,(H3,23,24,25,26,27,28)