6-phenyl-9-(phenylmethyl)-2-(trifluoromethyl)purine

Systemtic Name: 6-phenyl-9-(phenylmethyl)-2-(trifluoromethyl)purine Openeye Name: 9-benzyl-6-phenyl-2-(trifluoromethyl)purine CAS Name: 6-phenyl-9-(phenylmethyl)-2-(trifluoromethyl)purine IUPAC Name: 9-benzyl-6-phenyl-2-(trifluoromethyl)purine Traditional Name: 9-benzyl-6-phenyl-2-(trifluoromethyl)purine Formula: C19H13F3N4 MolecularWeight: 354.32853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C19H13F3N4/c20-19(21,22)18-24-15(14-9-5-2-6-10-14)16-17(25-18)26(12-23-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2