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CHEBI:51112 - 3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde

ChEBI IDCHEBI:51112
ChEBI Name3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde
Stars
ASCII Name3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde
Last Modified16 March 2016
SubmitterInma Spiteri
DownloadsMolfile
FormulaC11H19N5OS
Net Charge0
Average Mass269.374
Monoisotopic Mass269.13103
SMILES[H]C(=O)CCNc1nc(NC(C)(C)C)nc(SC)n1
InChIInChI=1S/C11H19N5OS/c1-11(2,3)16-9-13-8(12-6-5-7-17)14-10(15-9)18-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyXDHRLUOJUPMUQM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antifouling biocide  A compound that inhibits the growth of marine organisms.
ChEBI Ontology
Outgoing Relation(s)
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde (CHEBI:51112) has parent hydride 1,3,5-triazine (CHEBI:30259)
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde (CHEBI:51112) has role antifouling biocide (CHEBI:51076)
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde (CHEBI:51112) has role metabolite (CHEBI:25212)
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde (CHEBI:51112) is a aldehyde (CHEBI:17478)
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde (CHEBI:51112) is a diamine (CHEBI:23666)
IUPAC Name 
3-{[4-(tert-butylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amino}propanal
Synonym  Source
M2ChEBI