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

Systemtic Name: 4-azanyl-2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-amino-2-[(2,3-difluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-amino-2-[(2,3-difluorobenzyl)thio]-8H-pteridin-7-one Formula: C13H9F2N5OS MolecularWeight: 321.305266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F2N5OS/c14-7-3-1-2-6(9(7)15)5-22-13-19-11(16)10-12(20-13)18-8(21)4-17-10/h1-4H,5H2,(H3,16,18,19,20,21)