Methyl 4-[4-(cyclopentyloxy)-3-ethoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

SpectraBase Compound ID	DyJtZH1Yx3B
InChI	InChI=1S/C20H26N2O4S/c1-4-25-16-11-13(9-10-15(16)26-14-7-5-6-8-14)18-17(19(23)24-3)12(2)21-20(27)22-18/h9-11,14,18H,4-8H2,1-3H3,(H2,21,22,27)
InChIKey	WIESXYWLYKNAON-UHFFFAOYSA-N Google Search
Mol Weight	390.5 g/mol
Molecular Formula	C20H26N2O4S
Exact Mass	390.161328 g/mol

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SpectraBase Spectrum ID	BbiDgqi0w2U
Name	Methyl 4-[4-(cyclopentyloxy)-3-ethoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	390.161328495 u
Formula	C20H26N2O4S
InChI	InChI=1S/C20H26N2O4S/c1-4-25-16-11-13(9-10-15(16)26-14-7-5-6-8-14)18-17(19(23)24-3)12(2)21-20(27)22-18/h9-11,14,18H,4-8H2,1-3H3,(H2,21,22,27)
InChIKey	WIESXYWLYKNAON-UHFFFAOYSA-N
Molecular Weight	390.498 g/mol
SMILES	N1C(NC(=C(C1C1=CC(OCC)=C(C=C1)OC1CCCC1)C(=O)OC)C)=S