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CHEBI:143896 - (S)-triaziflam

ChEBI IDCHEBI:143896
ChEBI Name(S)-triaziflam
Stars
ASCII Name(S)-triaziflam
DefinitionAn N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine that is the (S)-enantiomer of triaziflam.
Last Modified17 June 2019
SubmitterAdnan
DownloadsMolfile
FormulaC17H24FN5O
Net Charge0
Average Mass333.411
Monoisotopic Mass333.19649
SMILESCc1cc(C)cc(OC[C@H](C)Nc2nc(N)nc(C(C)(C)F)n2)c1
InChIInChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)/t12-/m0/s1
InChIKeyIUFUITYPUYMIHI-LBPRGKRZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-triaziflam (CHEBI:143896) is a N-[1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CHEBI:143897)
(S)-triaziflam (CHEBI:143896) is enantiomer of (R)-triaziflam (CHEBI:143895)
Incoming Relation(s)
triaziflam (CHEBI:143894) has part (S)-triaziflam (CHEBI:143896)
(R)-triaziflam (CHEBI:143895) is enantiomer of (S)-triaziflam (CHEBI:143896)
IUPAC Names 
N-[(2S)-1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
N2-[(2S)-1-(3,5-dimethylphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
Citations