5-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 4-methylbenzoate

SpectraBase Compound ID	DaHA2eoAJDa
InChI	InChI=1S/C20H16N2O5S/c1-11-3-6-13(7-4-11)19(25)27-16-10-12(5-8-15(16)26-2)9-14-17(23)21-20(28)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,28)
InChIKey	GFGLNZRNRJRRMR-UHFFFAOYSA-N Google Search
Mol Weight	396.42 g/mol
Molecular Formula	C20H16N2O5S
Exact Mass	396.077993 g/mol

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SpectraBase Spectrum ID	34eFfJ1RLgO
Name	5-[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 4-methylbenzoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	396.077992792 u
Formula	C20H16N2O5S
InChI	InChI=1S/C20H16N2O5S/c1-11-3-6-13(7-4-11)19(25)27-16-10-12(5-8-15(16)26-2)9-14-17(23)21-20(28)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,28)
InChIKey	GFGLNZRNRJRRMR-UHFFFAOYSA-N
Molecular Weight	396.417 g/mol
SMILES	N1C(NC(C(C1=O)=CC=1C=C(OC(C=2C=CC(=CC2)C)=O)C(=CC1)OC)=O)=S