2,4,7-Trioxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-5-carboxamide

SpectraBase Compound ID	CtutvFve16z
InChI	InChI=1S/C15H11F3N4O4/c16-15(17,18)6-1-3-7(4-2-6)19-12(24)8-5-9(23)20-11-10(8)13(25)22-14(26)21-11/h1-4,8H,5H2,(H,19,24)(H3,20,21,22,23,25,26)
InChIKey	YUCUQXRXPSHBQU-UHFFFAOYSA-N Google Search
Mol Weight	368.27 g/mol
Molecular Formula	C15H11F3N4O4
Exact Mass	368.073239 g/mol

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SpectraBase Spectrum ID	4MyuOElsRtL
Name	2,4,7-Trioxo-N-[4-(trifluoromethyl)phenyl]-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	368.073239335 u
Formula	C15H11F3N4O4
InChI	InChI=1S/C15H11F3N4O4/c16-15(17,18)6-1-3-7(4-2-6)19-12(24)8-5-9(23)20-11-10(8)13(25)22-14(26)21-11/h1-4,8H,5H2,(H,19,24)(H3,20,21,22,23,25,26)
InChIKey	YUCUQXRXPSHBQU-UHFFFAOYSA-N
Molecular Weight	368.272 g/mol
SMILES	C12=C(C(=O)NC(N2)=O)C(C(NC2=CC=C(C(F)(F)F)C=C2)=O)CC(N1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.887308