9-methyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-methyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-purin-6-one Openeye Name: 9-methyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-purin-6-one CAS Name: 9-methyl-8-[[3-(trifluoromethyl)phenyl]methylthio]-3H-purin-6-one IUPAC Name: 9-methyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-purin-6-one Traditional Name: 9-methyl-8-[[3-(trifluoromethyl)benzyl]thio]-3H-purin-6-one Formula: C14H11F3N4OS MolecularWeight: 340.32355

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C14H11F3N4OS/c1-21-11-10(12(22)19-7-18-11)20-13(21)23-6-8-3-2-4-9(5-8)14(15,16)17/h2-5,7H,6H2,1H3,(H,18,19,22)