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7-[(3-Methyl-2-butenyl)sulfanyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
SpectraBase Compound ID LS4flrU1jdJ
InChI InChI=1S/C9H11N5S/c1-6(2)3-4-15-9-7-8(10-5-11-9)13-14-12-7/h3,5H,4H2,1-2H3,(H,10,11,12,13,14)
InChIKey DCLBEMLSNAWZQA-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C9H11N5S
Exact Mass 221.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ioj6J6btMG
Name 7-[(3-Methyl-2-butenyl)sulfanyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Alternate Name(s) 7-(3-Methylbut-2-enylsulfanyl)-2H-triazolo[4,5-d]pyrimidine 7-(3-Methylbut-2-enylsulfanyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine 7-(3-Methylbut-2-enylthio)-2H-triazolo[4,5-d]pyrimidine
CAS Registry Number 34257-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N5S
InChI InChI=1S/C9H11N5S/c1-6(2)3-4-15-9-7-8(10-5-11-9)13-14-12-7/h3,5H,4H2,1-2H3,(H,10,11,12,13,14)
InChIKey DCLBEMLSNAWZQA-UHFFFAOYSA-N
Molecular Weight 221.282 g/mol
SMILES [nH]1nc2c(n1)c(ncn2)SCC=C(C)C
SPLASH splash10-010c-9820000000-5b44085c430f27aba12e
Source of Spectrum AV-44-267-5
Wiley ID 1221054