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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F)O

Isomeric SMILES

CC(CNC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F)O

InChI

InChI=1S/C16H15F2N5O2S/c1-8(24)5-20-14-13-15(21-11(25)6-19-13)23-16(22-14)26-7-9-3-2-4-10(17)12(9)18/h2-4,6,8,24H,5,7H2,1H3,(H2,20,21,22,23,25)