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

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(2-chloro-6-fluoro-benzyl)thio]-3,7-dihydropurin-2-one Formula: C12H8ClFN4OS MolecularWeight: 310.734523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClFN4OS/c13-7-2-1-3-8(14)6(7)4-20-11-9-10(16-5-15-9)17-12(19)18-11/h1-3,5H,4H2,(H2,15,16,17,18,19)