9-Benzyl-6-[3',3'-bis(ethoxycarbonyl)propyl]-9H-purine

SpectraBase Compound ID	4bicHPjursx
InChI	InChI=1S/C21H24N4O4/c1-3-28-20(26)16(21(27)29-4-2)10-11-17-18-19(23-13-22-17)25(14-24-18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey	OATAORMXAGZCDX-UHFFFAOYSA-N Google Search
Mol Weight	396.45 g/mol
Molecular Formula	C21H24N4O4
Exact Mass	396.179755 g/mol

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SpectraBase Spectrum ID	4z4ECmyYmIE
Name	9-Benzyl-6-[3',3'-bis(ethoxycarbonyl)propyl]-9H-purine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	396.179755265 u
Formula	C21H24N4O4
InChI	InChI=1S/C21H24N4O4/c1-3-28-20(26)16(21(27)29-4-2)10-11-17-18-19(23-13-22-17)25(14-24-18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey	OATAORMXAGZCDX-UHFFFAOYSA-N
Molecular Weight	396.447 g/mol
SMILES	C=12N(C=NC2=C(CCC(C(=O)OCC)C(=O)OCC)N=CN1)CC=1C=CC=CC1