Ethyl 4-{2-[2-(benzylamino)-2-oxoethoxy]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

SpectraBase Compound ID	JxbcKxusrh1
InChI	InChI=1S/C23H25N3O4S/c1-3-29-22(28)20-15(2)25-23(31)26-21(20)17-11-7-8-12-18(17)30-14-19(27)24-13-16-9-5-4-6-10-16/h4-12,21H,3,13-14H2,1-2H3,(H,24,27)(H2,25,26,31)
InChIKey	AQXXALMZFUQTLT-UHFFFAOYSA-N Google Search
Mol Weight	439.53 g/mol
Molecular Formula	C23H25N3O4S
Exact Mass	439.156577 g/mol

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SpectraBase Spectrum ID	GJD6E59lMhi
Name	Ethyl 4-{2-[2-(benzylamino)-2-oxoethoxy]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	439.156577467 u
Formula	C23H25N3O4S
InChI	InChI=1S/C23H25N3O4S/c1-3-29-22(28)20-15(2)25-23(31)26-21(20)17-11-7-8-12-18(17)30-14-19(27)24-13-16-9-5-4-6-10-16/h4-12,21H,3,13-14H2,1-2H3,(H,24,27)(H2,25,26,31)
InChIKey	AQXXALMZFUQTLT-UHFFFAOYSA-N
Molecular Weight	439.530 g/mol
SMILES	N(C(COC=1C(C2C(=C(NC(=S)N2)C)C(=O)OCC)=CC=CC1)=O)CC1=CC=CC=C1