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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(3-oxidanylpropylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(3-hydroxypropylamino)-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(3-hydroxypropylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(3-hydroxypropylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(3-hydroxypropylamino)-8H-pteridin-7-one Formula: C16H15F2N5O2S MolecularWeight: 379.384406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N5O2S/c17-10-4-1-3-9(12(10)18)8-26-16-22-14(19-5-2-6-24)13-15(23-16)21-11(25)7-20-13/h1,3-4,7,24H,2,5-6,8H2,(H2,19,21,22,23,25)