6-chloranyl-9-[(2-methoxypyridin-3-yl)methyl]-2-(trifluoromethyl)purine

Systemtic Name: 6-chloranyl-9-[(2-methoxypyridin-3-yl)methyl]-2-(trifluoromethyl)purine Openeye Name: 6-chloro-9-[(2-methoxy-3-pyridyl)methyl]-2-(trifluoromethyl)purine CAS Name: 6-chloro-9-[(2-methoxy-3-pyridinyl)methyl]-2-(trifluoromethyl)purine IUPAC Name: 6-chloro-9-[(2-methoxypyridin-3-yl)methyl]-2-(trifluoromethyl)purine Traditional Name: 6-chloro-9-[(2-methoxy-3-pyridyl)methyl]-2-(trifluoromethyl)purine Formula: C13H9ClF3N5O MolecularWeight: 343.69167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC=N1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F

InChI

InChI=1S/C13H9ClF3N5O/c1-23-11-7(3-2-4-18-11)5-22-6-19-8-9(14)20-12(13(15,16)17)21-10(8)22/h2-4,6H,5H2,1H3