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1-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-2-sulfanylidene-8H-pteridin-7-one

1-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-2-sulfanylidene-8H-pteridin-7-one

Systemtic Name:1-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-2-sulfanylidene-8H-pteridin-7-one
Openeye Name:1-[(3-chloro-2-fluoro-phenyl)methyl]-2-thioxo-8H-pteridin-7-one
CAS Name:1-[(3-chloro-2-fluorophenyl)methyl]-2-sulfanylidene-8H-pteridin-7-one
IUPAC Name:1-[(3-chloro-2-fluorophenyl)methyl]-2-sulfanylidene-8H-pteridin-7-one
Traditional Name:1-(3-chloro-2-fluoro-benzyl)-2-thioxo-8H-pteridin-7-one
Formula: C13H8ClFN4OS
MolecularWeight: 322.745223
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CN2C3=C(C=NC2=S)N=CC(=O)N3


Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CN2C3=C(C=NC2=S)N=CC(=O)N3


InChI

InChI=1S/C13H8ClFN4OS/c14-8-3-1-2-7(11(8)15)6-19-12-9(4-17-13(19)21)16-5-10(20)18-12/h1-5H,6H2,(H,18,20)


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