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(8-Imidazol-1-yl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid methyl ester
SpectraBase Compound ID JLtFjB4oYMB
InChI InChI=1S/C13H14N6O4/c1-16-10-9(11(21)17(2)13(16)22)19(6-8(20)23-3)12(15-10)18-5-4-14-7-18/h4-5,7H,6H2,1-3H3
InChIKey KAFOAVSWXDPFOR-UHFFFAOYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C13H14N6O4
Exact Mass 318.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEBBwdE0DvO
Name (8-Imidazol-1-yl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid methyl ester
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Formula C13H14N6O4
InChI InChI=1S/C13H14N6O4/c1-16-10-9(11(21)17(2)13(16)22)19(6-8(20)23-3)12(15-10)18-5-4-14-7-18/h4-5,7H,6H2,1-3H3
InChIKey KAFOAVSWXDPFOR-UHFFFAOYSA-N
Molecular Weight 318.293 g/mol
SMILES c12c([n](CC(=O)OC)c(n2)-[n]2cncc2)C(=O)N(C(N1C)=O)C
SPLASH splash10-014i-6498000000-12586a260e08b42f24d9
Synonyms 2-(8-imidazol-1-yl-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid methyl ester 2-[8-(1-imidazolyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester Methyl 2-(8-imidazol-1-yl-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate Methyl 2-[8-imidazol-1-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate
Wiley ID 1461305