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

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ChEBI Name	*3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde*

ChEBI ID	CHEBI:51112

ChEBI ASCII Name	3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H19N5OS

Net Charge

Average Mass

269.368

Monoisotopic Mass

269.13103

InChI

InChI=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)

InChIKey

XDHRLUOJUPMUQM-UHFFFAOYSA-N

SMILES

C=1(N=C(N=C(N1)NCCC(=O)[H])SC)NC(C)(C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antifouling biocide A compound that inhibits the growth of marine organisms.

ChEBI Ontology
Outgoing	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
M2	ChEBI

Last Modified

16 March 2016