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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(6-oxidanylhexylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(6-hydroxyhexylamino)-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(6-hydroxyhexylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(6-hydroxyhexylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(6-hydroxyhexylamino)-8H-pteridin-7-one Formula: C19H21F2N5O2S MolecularWeight: 421.464146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F2N5O2S/c20-13-7-5-6-12(15(13)21)11-29-19-25-17(22-8-3-1-2-4-9-27)16-18(26-19)24-14(28)10-23-16/h5-7,10,27H,1-4,8-9,11H2,(H2,22,24,25,26,28)