2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(5-oxidanylpentylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(5-oxidanylpentylamino)-8H-pteridin-7-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(5-hydroxypentylamino)-8H-pteridin-7-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-(5-hydroxypentylamino)-8H-pteridin-7-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(5-hydroxypentylamino)-8H-pteridin-7-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-(5-hydroxypentylamino)-8H-pteridin-7-one Formula: C18H19F2N5O2S MolecularWeight: 407.437566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N5O2S/c19-12-6-4-5-11(14(12)20)10-28-18-24-16(21-7-2-1-3-8-26)15-17(25-18)23-13(27)9-22-15/h4-6,9,26H,1-3,7-8,10H2,(H2,21,23,24,25,27)