4-azanyl-2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-8H-pteridin-7-one

Systemtic Name: 4-azanyl-2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-8H-pteridin-7-one Openeye Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-6-methyl-8H-pteridin-7-one CAS Name: 4-amino-2-[(2,3-difluorophenyl)methylthio]-6-methyl-8H-pteridin-7-one IUPAC Name: 4-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-6-methyl-8H-pteridin-7-one Traditional Name: 4-amino-2-[(2,3-difluorobenzyl)thio]-6-methyl-8H-pteridin-7-one Formula: C14H11F2N5OS MolecularWeight: 335.331846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC1=O)N=C(N=C2N)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

CC1=NC2=C(NC1=O)N=C(N=C2N)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C14H11F2N5OS/c1-6-13(22)20-12-10(18-6)11(17)19-14(21-12)23-5-7-3-2-4-8(15)9(7)16/h2-4H,5H2,1H3,(H3,17,19,20,21,22)