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4-Amino-2-(hexylthio)pyrimidine-5-carbonitrile
SpectraBase Compound ID 30M1j9AGK6X
InChI InChI=1S/C11H16N4S/c1-2-3-4-5-6-16-11-14-8-9(7-12)10(13)15-11/h8H,2-6H2,1H3,(H2,13,14,15)
InChIKey XJPGUJFEBPPBMM-UHFFFAOYSA-N
Mol Weight 236.34 g/mol
Molecular Formula C11H16N4S
Exact Mass 236.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZNAafJ4SPP
Name 4-Amino-2-(hexylthio)pyrimidine-5-carbonitrile
Alternate Name(s) 4-Amino-2-(hexylthio)-5-pyrimidinecarbonitrile 4-Amino-2-hexylsulfanylpyrimidine-5-carbonitrile 4-Amino-2-hexylsulfanyl-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N4S
InChI InChI=1S/C11H16N4S/c1-2-3-4-5-6-16-11-14-8-9(7-12)10(13)15-11/h8H,2-6H2,1H3,(H2,13,14,15)
InChIKey XJPGUJFEBPPBMM-UHFFFAOYSA-N
Molecular Weight 236.337 g/mol
SMILES Nc1nc(ncc1C#N)SCCCCCC
SPLASH splash10-0uy0-0910000000-e50558c210adc98429d3
Source of Spectrum H-81-655-5
Wiley ID 1237765