9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine

Systemtic Name: 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine Openeye Name: 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine CAS Name: 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-6-purinamine IUPAC Name: 9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine Traditional Name: [9-(2-chlorophenyl)purin-6-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C18H11ClF3N5 MolecularWeight: 389.76165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF3N5/c19-13-3-1-2-4-14(13)27-10-25-15-16(23-9-24-17(15)27)26-12-7-5-11(6-8-12)18(20,21)22/h1-10H,(H,23,24,26)