9-[(4-aminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[(4-aminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[(4-aminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(4-aminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(4-aminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(4-aminobenzyl)-2-(trifluoromethyl)purin-6-yl]-(3-fluorophenyl)amine Formula: C19H14F4N6 MolecularWeight: 402.348273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)F)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)N)C(F)(F)F

InChI

InChI=1S/C19H14F4N6/c20-12-2-1-3-14(8-12)26-16-15-17(28-18(27-16)19(21,22)23)29(10-25-15)9-11-4-6-13(24)7-5-11/h1-8,10H,9,24H2,(H,26,27,28)