EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83791 - (S)-sebuthylazine

ChEBI IDCHEBI:83791
ChEBI Name(S)-sebuthylazine
Stars
ASCII Name(S)-sebuthylazine
DefinitionThe (S)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine.
Last Modified18 November 2014
Submitternamrata
DownloadsMolfile
FormulaC9H16ClN5
Net Charge0
Average Mass229.715
Monoisotopic Mass229.10942
SMILESCCNc1nc(Cl)nc(N[C@@H](C)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m0/s1
InChIKeyBZRUVKZGXNSXMB-LURJTMIESA-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)-sebuthylazine (CHEBI:83791) is a N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine (CHEBI:83789)
Incoming Relation(s)
sebuthylazine (CHEBI:83521) has part (S)-sebuthylazine (CHEBI:83791)
IUPAC Name 
N-[(2S)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
Registry NumbersSources
Reaxys:4294506Reaxys
CAS:109905-63-7ChemIDplus