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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine

ChEBI ID	CHEBI:188653

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H21N5S

Net Charge

Average Mass

351.470

Monoisotopic Mass

351.15177

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

SMILES

S(C=1N(CCCC#C)C2=NC=NC(N)=C2N1)C3=C(C=C(C=C3C)C)C

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	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