Ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

SpectraBase Compound ID	3IVBjyoo8Mi
InChI	InChI=1S/C21H22N2O3S/c1-3-25-20(24)18-14(2)22-21(27)23-19(18)16-11-7-8-12-17(16)26-13-15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,27)
InChIKey	GFGXZWJCWCLHKF-UHFFFAOYSA-N Google Search
Mol Weight	382.48 g/mol
Molecular Formula	C21H22N2O3S
Exact Mass	382.135114 g/mol

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SpectraBase Spectrum ID	DG3a2ebnKlD
Name	Ethyl 4-[2-(benzyloxy)phenyl]-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	382.135113747 u
Formula	C21H22N2O3S
InChI	InChI=1S/C21H22N2O3S/c1-3-25-20(24)18-14(2)22-21(27)23-19(18)16-11-7-8-12-17(16)26-13-15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,27)
InChIKey	GFGXZWJCWCLHKF-UHFFFAOYSA-N
Molecular Weight	382.478 g/mol
SMILES	N1C(NC(=C(C1C=1C(OCC=2C=CC=CC2)=CC=CC1)C(=O)OCC)C)=S