6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-7H-purine

Systemtic Name: 6-(4-fluoranyl-2-methyl-phenyl)-2-methylsulfanyl-7H-purine Openeye Name: 6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-7H-purine CAS Name: 6-(4-fluoro-2-methylphenyl)-2-(methylthio)-7H-purine IUPAC Name: 6-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-7H-purine Traditional Name: 6-(4-fluoro-2-methyl-phenyl)-2-(methylthio)-7H-purine Formula: C13H11FN4S MolecularWeight: 274.316643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C3C(=NC(=N2)SC)N=CN3

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C3C(=NC(=N2)SC)N=CN3

InChI

InChI=1S/C13H11FN4S/c1-7-5-8(14)3-4-9(7)10-11-12(16-6-15-11)18-13(17-10)19-2/h3-6H,1-2H3,(H,15,16,17,18)