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7-butyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EmLmGFbEvKU
InChI InChI=1S/C11H15ClN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h4-6H2,1-3H3
InChIKey YGYJVWCTRPUMDI-UHFFFAOYSA-N
Mol Weight 270.72 g/mol
Molecular Formula C11H15ClN4O2
Exact Mass 270.088353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AD2cIQqcyI3
Name 7-Butyl-8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15ClN4O2
InChI InChI=1S/C11H15ClN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h4-6H2,1-3H3
InChIKey YGYJVWCTRPUMDI-UHFFFAOYSA-N
Molecular Weight 270.720 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CCCC)c(n1)Cl
SPLASH splash10-03y3-9580000000-b28a30e03eec046a2f97
Synonyms 7-Butyl-8-chloranyl-1,3-dimethyl-purine-2,6-dione 7-Butyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-Butyl-8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6(1H)-dione 7-Butyl-8-chloro-1,3-dimethyl-purine-2,6-dione 7-Butyl-8-chloro-1,3-dimethyl-xanthine
Wiley ID 1460926