Chemical Component Summary

Name3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
Identifiers3-[(4-fluorophenyl)methyl]-2-sulfanylidene-7H-purin-6-one
FormulaC12 H9 F N4 O S
Molecular Weight276.289
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F
InChIInChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)
InChIKeyGMNQNGTVFNOHLD-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 10378726