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CHEBI:48786 - (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile

Default Structure
ChEBI IDCHEBI:48786
ChEBI Name(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
Stars
ASCII Name(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
Secondary ChEBI IDsCHEBI:30267, CHEBI:48785
Last Modified10 March 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H15ClN6
Net Charge0
Average Mass254.725
Monoisotopic Mass254.10467
SMILESCCNc1nc(Cl)nc(N[C@](C)(C#N)CC)n1
InChIInChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1
InChIKeyIUCVBFHDSFSEIK-JTQLQIEISA-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)
(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:48786) is a 2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:30265)
(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:48786) is enantiomer of (2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:48790)
Incoming Relation(s)
(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:48790) is enantiomer of (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:48786)
IUPAC Name 
(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
Synonyms  Source
2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINEPDBeChem
DG-420314PDB
Manual XrefsDatabases
CEBPDBeChem
DB07551DrugBank