Chemical Component Summary

Name6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
Identifiers6-[(3,5-difluorophenyl)amino]-9-ethyl-purine-2-carbonitrile
FormulaC14 H10 F2 N6
Molecular Weight300.266
TypeNON-POLYMER
Isomeric SMILESCCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N
InChIInChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
InChIKeySZYYBVWPURUFRR-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL567341
PubChem 44143088
ChEMBL CHEMBL567341
ChEBI CHEBI:92430