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2-chloranyl-N-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzamide
SpectraBase Compound ID 5kEzIYiQd62
InChI InChI=1S/C15H14ClN5O3/c1-19-10-11(20(2)15(24)21(3)13(10)23)17-14(19)18-12(22)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H,17,18,22)
InChIKey RWPWSEBPMCLUKG-UHFFFAOYSA-N
Mol Weight 347.76 g/mol
Molecular Formula C15H14ClN5O3
Exact Mass 347.078517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcNDWE60UJz
Name 2-chloranyl-N-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C15H14ClN5O3
InChI InChI=1S/C15H14ClN5O3/c1-19-10-11(20(2)15(24)21(3)13(10)23)17-14(19)18-12(22)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H,17,18,22)
InChIKey RWPWSEBPMCLUKG-UHFFFAOYSA-N
Molecular Weight 347.762 g/mol
SMILES N(c1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)C(c1c(Cl)cccc1)=O
SPLASH splash10-000i-0900000000-9110dcde30e763aefdab
Source of Spectrum Y-32-945-18
Synonyms 2-chloro-N-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)benzamide 2-chloro-N-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)benzamide 2-chloro-N-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)benzamide
Wiley ID 1339888