8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine (CHEBI:188653)

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CHEBI:188653 - 8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

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ChEBI ID	CHEBI:188653
ChEBI Name	8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H21N5S
Net Charge	0
Average Mass	351.479
Monoisotopic Mass	351.15177
SMILES	C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21
InChI	InChI=1S/C19H21N5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)25-16-13(3)9-12(2)10-14(16)4/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
InChIKey	FFJTXDGAXOSYBK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

ChEBI Ontology

Outgoing Relation(s)
	8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine (CHEBI:188653) is a aryl sulfide (CHEBI:35683)

IUPAC Name
9-pent-4-ynyl-8-(2,4,6-trimethylphenyl)sulanylpurin-6-amine

Manual Xrefs	Databases
29354269	ChemSpider