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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(4-oxidanylbutylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(4-hydroxybutylamino)-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(4-hydroxybutylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(4-hydroxybutylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(4-hydroxybutylamino)-8H-pteridin-7-one Formula: C17H17F2N5O2S MolecularWeight: 393.410986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N5O2S/c18-11-5-3-4-10(13(11)19)9-27-17-23-15(20-6-1-2-7-25)14-16(24-17)22-12(26)8-21-14/h3-5,8,25H,1-2,6-7,9H2,(H2,20,22,23,24,26)