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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-bromanyl-8H-pteridin-7-one Openeye Name: 4-bromo-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-bromo-2-[(2,3-difluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-bromo-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-bromo-2-[(2,3-difluorobenzyl)thio]-8H-pteridin-7-one Formula: C13H7BrF2N4OS MolecularWeight: 385.186686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrF2N4OS/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)