CHEBI:92683 - 6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile
ChEBI ID CHEBI:92683
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H8F4N6
Net Charge 0
Average Mass 336.248
Monoisotopic Mass 336.07466
InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
InChIKey VMJFQUMKCMNFSX-UHFFFAOYSA-N
SMILES C1=C(C=C(C=C1F)F)NC2=NC(=NC3=C2N=CN3CC(F)F)C#N
ChEBI Ontology
Outgoing 6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile (CHEBI:92683) is a 6-aminopurines (CHEBI:20706)
Manual Xref Database
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