6-ethyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-[3-(methylthio)phenyl]-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-[3-(methylthio)phenyl]-2-(trifluoromethyl)purine Formula: C15H13F3N4S MolecularWeight: 338.35073

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC(=CC=C3)SC

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C15H13F3N4S/c1-3-11-12-13(21-14(20-11)15(16,17)18)22(8-19-12)9-5-4-6-10(7-9)23-2/h4-8H,3H2,1-2H3