4-Methylene-1-phenyl-3,5,6-trimethyl-1H,3H,6H-pyrimido[4,5-d]pyrimidine-2,7-dione

SpectraBase Compound ID	Irr2pEKv1gZ
InChI	InChI=1S/C16H16N4O2/c1-10-13-11(2)19(4)16(22)20(12-8-6-5-7-9-12)14(13)17-15(21)18(10)3/h5-9H,2H2,1,3-4H3
InChIKey	INWALHSUSZTXNO-UHFFFAOYSA-N Google Search
Mol Weight	296.33 g/mol
Molecular Formula	C16H16N4O2
Exact Mass	296.127326 g/mol

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SpectraBase Spectrum ID	KHUx2YLoqAa
Name	4-Methylene-1-phenyl-3,5,6-trimethyl-1H,3H,6H-pyrimido[4,5-D]pyrimidine-2,7-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	296.127325769 u
Formula	C16H16N4O2
InChI	InChI=1S/C16H16N4O2/c1-10-13-11(2)19(4)16(22)20(12-8-6-5-7-9-12)14(13)17-15(21)18(10)3/h5-9H,2H2,1,3-4H3
InChIKey	INWALHSUSZTXNO-UHFFFAOYSA-N
Molecular Weight	296.330 g/mol
SMILES	C=12C(C(=C)N(C(N2C2=CC=CC=C2)=O)C)=C(C)N(C(N1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.87356