2,4-Diketo-3-[2-keto-2-(propylamino)ethyl]-10-phenethyl-N-propyl-benzo[g]pteridine-7-carboxamide

SpectraBase Compound ID	2OfdB2p62RY
InChI	InChI=1S/C27H30N6O4/c1-3-13-28-22(34)17-33-26(36)23-24(31-27(33)37)32(15-12-18-8-6-5-7-9-18)21-11-10-19(16-20(21)30-23)25(35)29-14-4-2/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,28,34)(H,29,35)
InChIKey	GDTOPNWWNIJXDL-UHFFFAOYSA-N Google Search
Mol Weight	502.58 g/mol
Molecular Formula	C27H30N6O4
Exact Mass	502.232853 g/mol

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SpectraBase Spectrum ID	BEewD0niKTp
Name	2,4-Diketo-3-[2-keto-2-(propylamino)ethyl]-10-phenethyl-N-propyl-benzo[G]pteridine-7-carboxamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	502.232853466 u
Formula	C27H30N6O4
InChI	InChI=1S/C27H30N6O4/c1-3-13-28-22(34)17-33-26(36)23-24(31-27(33)37)32(15-12-18-8-6-5-7-9-18)21-11-10-19(16-20(21)30-23)25(35)29-14-4-2/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,28,34)(H,29,35)
InChIKey	GDTOPNWWNIJXDL-UHFFFAOYSA-N
Molecular Weight	502.575 g/mol
SMILES	C=12C(=NC(N(C2=O)CC(=O)NCCC)=O)N(CCC=2C=CC=CC2)C=2C(N1)=CC(C(=O)NCCC)=CC2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.954641