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2-chloranyl-N-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzamide
SpectraBase Compound ID 3rMrQqHAoxR
InChI InChI=1S/C14H12ClN5O3/c1-19-10-9(12(22)20(2)14(19)23)16-13(17-10)18-11(21)7-5-3-4-6-8(7)15/h3-6H,1-2H3,(H2,16,17,18,21)
InChIKey LAAFFYFMQHRFSA-UHFFFAOYSA-N
Mol Weight 333.74 g/mol
Molecular Formula C14H12ClN5O3
Exact Mass 333.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mwk1ObXfS
Name 2-chloranyl-N-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H12ClN5O3
InChI InChI=1S/C14H12ClN5O3/c1-19-10-9(12(22)20(2)14(19)23)16-13(17-10)18-11(21)7-5-3-4-6-8(7)15/h3-6H,1-2H3,(H2,16,17,18,21)
InChIKey LAAFFYFMQHRFSA-UHFFFAOYSA-N
Molecular Weight 333.735 g/mol
SMILES [nH]1c(nc2c1C(=O)N(C(N2C)=O)C)NC(c1c(Cl)cccc1)=O
SPLASH splash10-000i-0900000000-0f08ed828777f22e94df
Source of Spectrum Y-32-944-7
Synonyms 2-chloro-N-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzamide 2-chloro-N-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzamide
Wiley ID 1330074