8-[(2-fluorophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one

Systemtic Name: 8-[(2-fluorophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[(2-fluorophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[(2-fluorophenyl)methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[(2-fluorophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[(2-fluorobenzyl)thio]-9-methyl-3H-purin-6-one Formula: C13H11FN4OS MolecularWeight: 290.316043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=CC=C3F

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=CC=C3F

InChI

InChI=1S/C13H11FN4OS/c1-18-11-10(12(19)16-7-15-11)17-13(18)20-6-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,15,16,19)