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4-azanyl-2-butylsulfanyl-8-[[3-chloranyl-2,6-bis(fluoranyl)phenyl]methyl]-5H-pteridine-6,7-dione

4-azanyl-2-butylsulfanyl-8-[[3-chloranyl-2,6-bis(fluoranyl)phenyl]methyl]-5H-pteridine-6,7-dione

Systemtic Name:4-azanyl-2-butylsulfanyl-8-[[3-chloranyl-2,6-bis(fluoranyl)phenyl]methyl]-5H-pteridine-6,7-dione
Openeye Name:4-amino-2-butylsulfanyl-8-[(3-chloro-2,6-difluoro-phenyl)methyl]-5H-pteridine-6,7-dione
CAS Name:4-amino-2-(butylthio)-8-[(3-chloro-2,6-difluorophenyl)methyl]-5H-pteridine-6,7-dione
IUPAC Name:4-amino-2-butylsulfanyl-8-[(3-chloro-2,6-difluorophenyl)methyl]-5H-pteridine-6,7-dione
Traditional Name:4-amino-2-(butylthio)-8-(3-chloro-2,6-difluoro-benzyl)-5H-pteridine-6,7-quinone
Formula: C17H16ClF2N5O2S
MolecularWeight: 427.856046
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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=C(C=CC(=C3F)Cl)F


Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=C(C=CC(=C3F)Cl)F


InChI

InChI=1S/C17H16ClF2N5O2S/c1-2-3-6-28-17-23-13(21)12-14(24-17)25(16(27)15(26)22-12)7-8-10(19)5-4-9(18)11(8)20/h4-5H,2-3,6-7H2,1H3,(H,22,26)(H2,21,23,24)


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