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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F

InChI

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