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4-{[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino}butanoic acid
SpectraBase Compound ID 5ZQ28wkDVSr
InChI InChI=1S/C8H12ClN5O2/c1-10-7-12-6(9)13-8(14-7)11-4-2-3-5(15)16/h2-4H2,1H3,(H,15,16)(H2,10,11,12,13,14)
InChIKey NSHVIMQRVINRIE-UHFFFAOYSA-N
Mol Weight 245.67 g/mol
Molecular Formula C8H12ClN5O2
Exact Mass 245.067952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B041aZZxNsO
Name 4-{[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino}butanoic acid
Alternate Name(s) 4-[[4-chloranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoic acid 4-[[4-chloro-6-(methylamino)-s-triazin-2-yl]amino]butyric acid
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Formula C8H12ClN5O2
InChI InChI=1S/C8H12ClN5O2/c1-10-7-12-6(9)13-8(14-7)11-4-2-3-5(15)16/h2-4H2,1H3,(H,15,16)(H2,10,11,12,13,14)
InChIKey NSHVIMQRVINRIE-UHFFFAOYSA-N
Molecular Weight 245.670 g/mol
SMILES OC(CCCNc1nc(nc(n1)NC)Cl)=O
SPLASH splash10-001i-9711000000-2217b77a08d7b022c80b
Wiley ID 1449091