Xanthine, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]-

SpectraBase Compound ID	8O6zpweCtj5
InChI	InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
InChIKey	AOXCQJMAPNFAQR-UHFFFAOYSA-N Google Search
Mol Weight	477.52 g/mol
Molecular Formula	C25H27N5O5
Exact Mass	477.201219 g/mol

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SpectraBase Spectrum ID	2H9x5OlljF
Name	Xanthine, 1,3-dipropyl-8-[4-[[(4-hydroxy)phenylamino]carbonyl]methoxyphenyl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	477.201218984 u
Formula	C25H27N5O5
InChI	InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
InChIKey	AOXCQJMAPNFAQR-UHFFFAOYSA-N
Molecular Weight	477.521 g/mol
SMILES	C12=C(C(N(C(N2CCC)=O)CCC)=O)N=C(N1)C1=CC=C(C=C1)OCC(NC1=CC=C(C=C1)O)=O