4-bromanyl-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 4-bromanyl-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-bromo-2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-bromo-2-[(3-chloro-2-fluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-bromo-2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-bromo-2-[(3-chloro-2-fluoro-benzyl)thio]-8H-pteridin-7-one Formula: C13H7BrClFN4OS MolecularWeight: 401.641283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CSC2=NC3=C(C(=N2)Br)N=CC(=O)N3

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CSC2=NC3=C(C(=N2)Br)N=CC(=O)N3

InChI

InChI=1S/C13H7BrClFN4OS/c14-11-10-12(18-8(21)4-17-10)20-13(19-11)22-5-6-2-1-3-7(15)9(6)16/h1-4H,5H2,(H,18,19,20,21)