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2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)-methyl-amino]acetic acid butyl ester
SpectraBase Compound ID Bdzl5zG8xRT
InChI InChI=1S/C15H23N5O4/c1-6-7-8-24-10(21)9-17(2)14-16-12-11(18(14)3)13(22)20(5)15(23)19(12)4/h6-9H2,1-5H3
InChIKey LQNWHYVWQTWTOC-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C15H23N5O4
Exact Mass 337.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4txwEGzwrys
Name 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)-methyl-amino]acetic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23N5O4
InChI InChI=1S/C15H23N5O4/c1-6-7-8-24-10(21)9-17(2)14-16-12-11(18(14)3)13(22)20(5)15(23)19(12)4/h6-9H2,1-5H3
InChIKey LQNWHYVWQTWTOC-UHFFFAOYSA-N
Molecular Weight 337.380 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)N(CC(=O)OCCCC)C
SPLASH splash10-000i-0198000000-e2f9198a9dfb22c914f5
Source of Spectrum U1-1999-2424-3
Synonyms 2-[methyl-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]acetic acid butyl ester Butyl 2-[methyl-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]acetate Butyl 2-[methyl-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethanoate
Wiley ID 753717