N-(4-Chlorophenyl)-2,4,7-trioxo-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-5-carboxamide

SpectraBase Compound ID	1h003eSflM9
InChI	InChI=1S/C14H11ClN4O4/c15-6-1-3-7(4-2-6)16-12(21)8-5-9(20)17-11-10(8)13(22)19-14(23)18-11/h1-4,8H,5H2,(H,16,21)(H3,17,18,19,20,22,23)
InChIKey	YXVPOEDDEUATIU-UHFFFAOYSA-N Google Search
Mol Weight	334.72 g/mol
Molecular Formula	C14H11ClN4O4
Exact Mass	334.046883 g/mol

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SpectraBase Spectrum ID	5Xg5Pvmnygr
Name	N-(4-Chlorophenyl)-2,4,7-trioxo-1,2,3,4,5,6,7,8-octahydropyrido[2,3-D]pyrimidine-5-carboxamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	334.046882546 u
Formula	C14H11ClN4O4
InChI	InChI=1S/C14H11ClN4O4/c15-6-1-3-7(4-2-6)16-12(21)8-5-9(20)17-11-10(8)13(22)19-14(23)18-11/h1-4,8H,5H2,(H,16,21)(H3,17,18,19,20,22,23)
InChIKey	YXVPOEDDEUATIU-UHFFFAOYSA-N
Molecular Weight	334.719 g/mol
SMILES	C12=C(C(=O)NC(N2)=O)C(C(NC2=CC=C(C=C2)Cl)=O)CC(N1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.951983