6-chloranyl-8-[3-(trifluoromethyl)phenyl]-7H-purine

Systemtic Name: 6-chloranyl-8-[3-(trifluoromethyl)phenyl]-7H-purine Openeye Name: 6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine CAS Name: 6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine IUPAC Name: 6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine Traditional Name: 6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine Formula: C12H6ClF3N4 MolecularWeight: 298.65105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)C(=NC=N3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)C(=NC=N3)Cl

InChI

InChI=1S/C12H6ClF3N4/c13-9-8-11(18-5-17-9)20-10(19-8)6-2-1-3-7(4-6)12(14,15)16/h1-5H,(H,17,18,19,20)