6-Benzyl-1-(4-fluorophenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

SpectraBase Compound ID	HUEweCbZoVf
InChI	InChI=1S/C19H17FN4O2/c20-14-6-8-15(9-7-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,25,26)
InChIKey	YLEOSVVWCDTTJQ-UHFFFAOYSA-N Google Search
Mol Weight	352.37 g/mol
Molecular Formula	C19H17FN4O2
Exact Mass	352.133554 g/mol

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SpectraBase Spectrum ID	87jNOhMBn11
Name	6-Benzyl-1-(4-fluorophenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	352.133553964 u
Formula	C19H17FN4O2
InChI	InChI=1S/C19H17FN4O2/c20-14-6-8-15(9-7-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,25,26)
InChIKey	YLEOSVVWCDTTJQ-UHFFFAOYSA-N
Molecular Weight	352.369 g/mol
SMILES	C1=2N(C(=O)NC(C2CN(CN1)CC1=CC=CC=C1)=O)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.936399