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

Systemtic Name: N-(3-fluorophenyl)-9-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-(3-fluorophenyl)-9-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N-(3-fluorophenyl)-9-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-(3-fluorophenyl)-9-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: (3-fluorophenyl)-[9-(4-nitrobenzyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C19H12F4N6O2 MolecularWeight: 432.331193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)F)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H12F4N6O2/c20-12-2-1-3-13(8-12)25-16-15-17(27-18(26-16)19(21,22)23)28(10-24-15)9-11-4-6-14(7-5-11)29(30)31/h1-8,10H,9H2,(H,25,26,27)