1,3-Dimethyl-2,4,5-trioxo-7-(triphenylphosphoranylideneamino)-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester

SpectraBase Compound ID	NFZcEeClYw
InChI	InChI=1S/C29H25N4O5P/c1-32-26-23(27(35)33(2)29(32)37)24(34)22(28(36)38-3)25(30-26)31-39(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3,(H,30,34)
InChIKey	PUOBHFMPLKXQTF-UHFFFAOYSA-N Google Search
Mol Weight	540.52 g/mol
Molecular Formula	C29H25N4O5P
Exact Mass	540.156257 g/mol

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SpectraBase Spectrum ID	H6RvrLgquG9
Name	1,3-Dimethyl-2,4,5-trioxo-7-(triphenylphosphoranylideneamino)-8H-pyrido[2,3-D]pyrimidine-6-carboxylic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	540.156256914 u
Formula	C29H25N4O5P
InChI	InChI=1S/C29H25N4O5P/c1-32-26-23(27(35)33(2)29(32)37)24(34)22(28(36)38-3)25(30-26)31-39(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3,(H,30,34)
InChIKey	PUOBHFMPLKXQTF-UHFFFAOYSA-N
Molecular Weight	540.516 g/mol
SMILES	C12=C(C(=O)N(C(N2C)=O)C)C(=O)C(=C(N1)N=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)C(=O)OC