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

Systemtic Name: 2,4-bis[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Openeye Name: 2,4-bis[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 2,4-bis[(2,3-difluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 2,4-bis[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 2,4-bis[(2,3-difluorobenzyl)thio]-8H-pteridin-7-one Formula: C20H12F4N4OS2 MolecularWeight: 464.459093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)F)CSC2=NC(=NC3=C2N=CC(=O)N3)SCC4=C(C(=CC=C4)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)F)CSC2=NC(=NC3=C2N=CC(=O)N3)SCC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C20H12F4N4OS2/c21-12-5-1-3-10(15(12)23)8-30-19-17-18(26-14(29)7-25-17)27-20(28-19)31-9-11-4-2-6-13(22)16(11)24/h1-7H,8-9H2,(H,26,27,28,29)