CHEBI:82868 - (S)-diflumetorim

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-diflumetorim
ChEBI ID CHEBI:82868
ChEBI ASCII Name (S)-diflumetorim
Definition A 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine that has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H16ClF2N3O
Net Charge 0
Average Mass 327.75700
Monoisotopic Mass 327.09500
InChI InChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKey NEKULYKCZPJMMJ-LBPRGKRZSA-N
SMILES CC[C@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-diflumetorim (CHEBI:82868) is a 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861)
(S)-diflumetorim (CHEBI:82868) is enantiomer of (R)-diflumetorim (CHEBI:82867)
Incoming diflumetorim (CHEBI:82860) has part (S)-diflumetorim (CHEBI:82868)
(R)-diflumetorim (CHEBI:82867) is enantiomer of (S)-diflumetorim (CHEBI:82868)
IUPAC Name
5-chloro-N-{(1S)-1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
Last Modified
25 September 2016