6-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[[4-fluoro-2-(trifluoromethyl)benzyl]thio]-3,7-dihydropurin-2-one Formula: C13H8F4N4OS MolecularWeight: 344.287433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(F)(F)F)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

C1=CC(=C(C=C1F)C(F)(F)F)CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C13H8F4N4OS/c14-7-2-1-6(8(3-7)13(15,16)17)4-23-11-9-10(19-5-18-9)20-12(22)21-11/h1-3,5H,4H2,(H2,18,19,20,21,22)