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

Systemtic Name: 2-chloranyl-9-(phenylmethyl)-6-(trifluoromethyl)purine Openeye Name: 9-benzyl-2-chloro-6-(trifluoromethyl)purine CAS Name: 2-chloro-9-(phenylmethyl)-6-(trifluoromethyl)purine IUPAC Name: 9-benzyl-2-chloro-6-(trifluoromethyl)purine Traditional Name: 9-benzyl-2-chloro-6-(trifluoromethyl)purine Formula: C13H8ClF3N4 MolecularWeight: 312.67763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClF3N4/c14-12-19-10(13(15,16)17)9-11(20-12)21(7-18-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2